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Dear Sergei</div>

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The configure script determines the compiler by checking the output of the MPIF90 command, which must be set  as

<br>

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MPIF90=mpiifx. <br>

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In this way, in my case, the configure script detects correctly that I want to use an intel compiler but sets it wrongly to

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ifort</span> instead of <span style="font-family: Aptos Mono, Aptos_EmbeddedFont, Aptos_MSFontService, monospace;">

ifx.</span> <br>

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This is a minor issue that may need to be fixed, but if the future ifort and ifx are the same compiler, it may be unnecessary, and fixing it now can cause problems in the future. 

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<br>

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In your case, instead, MPIF90 was pointing to a  wrapper for the <span style="font-family: Aptos Mono, Aptos_EmbeddedFont, Aptos_MSFontService, monospace;">

gfortran</span> compiler, so all the settings, including the preprocessing options passed to the compiler with the F90FLAGS variable, are those for

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gfortran</span> and the bad preprocessing causes all those syntax errors in that file.

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You may add  <span style="font-family: Aptos Mono, Aptos_EmbeddedFont, Aptos_MSFontService, monospace;">

-fpp -allow nofpp_comments  </span>to the F90FLAGS variable in make.inc <br>

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<br>

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Or, much better, you can set the environment variable MPIF90=mpiifx. Then, rerun the configure script and fix the F90 variable inside the make.inc

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and everything should work.  <br>

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Best regards <br>

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Pietro<br>

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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>Da:</b> users <users-bounces@lists.quantum-espresso.org> per conto di Kliavinek, Sergei <skliavin@caltech.edu><br>

<b>Inviato:</b> mercoledì 23 agosto 2023 21:06<br>

<b>A:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>

<b>Oggetto:</b> [QE-users] R: QE 7.2 compilation with new Intel compilers</font>

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<div style="line-break:after-white-space">Dear Pietro, 

<div>Thanks a lot for your suggestion!</div>

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Indeed, I checked make.inc, and even though I explicitly wrote the `F90=ifx` option during configuration, it was ignored, and make.inc ended up writing `F90=gfortran`.  (perhaps this configuration behavior is already worth a separate analysis in light of the

 fact that Intel will soon abandon old compilers). </p>

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The previous error was indeed resolved by this, but a new one has appeared:</p>

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<br>

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<br>

gram.f90(60): error #5082: Syntax error, found IDENTIFIER 'CREATE' when expecting one of: ) ( , : <END-OF-STATEMENT> ; % [ . = / =></p>

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 data copy(cp_bgrp, bec_bgrp) create(ctmp, cp_tmp,bec_tmp,csc,csc2) &</p>

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------------------------------^</p>

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gram.f90(61): error #5082: Syntax error, found IDENTIFIER 'COPYIN' when expecting one of: :: ) ( , : * <END-OF-STATEMENT> ; . % (/ + - [ ] /) . = ' ** / ...</p>

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 & copyin(betae, qq_nt, ofsbeta,ityp, ibgrp_g2l, nh, tvanp ) </p>

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---^</p>

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gram.f90(61): error #5082: Syntax error, found END-OF-STATEMENT when expecting one of: :: ) , :</p>

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 & copyin(betae, qq_nt, ofsbeta,ityp, ibgrp_g2l, nh, tvanp ) </p>

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-------------------------------------------------------------^</p>

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gram.f90(72): error #5082: Syntax error, found IDENTIFIER 'PRESENT' when expecting one of: ( : % [ . = =></p>

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 kernels present(ctmp, cp_bgrp) </p>

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---------^</p>

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gram.f90(74): error #5082: Syntax error, found IDENTIFIER 'KERNELS' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

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 end kernels     </p>

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-----^</p>

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gram.f90(76): error #5082: Syntax error, found IDENTIFIER 'PRESENT' when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 kernels present(ctmp) </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

---------^</p>

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gram.f90(78): error #5082: Syntax error, found IDENTIFIER 'KERNELS' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 end kernels</p>

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-----^</p>

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gram.f90(90): error #5082: Syntax error, found IDENTIFIER 'USE_DEVICE' when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 host_data  use_device(ctmp) </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

------------^</p>

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gram.f90(92): error #5082: Syntax error, found IDENTIFIER 'HOST_DATA' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 end host_data</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-----^</p>

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gram.f90(94): error #5082: Syntax error, found IDENTIFIER 'PRESENT' when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 kernels present(cp_bgrp, ctmp) </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

---------^</p>

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gram.f90(96): error #5082: Syntax error, found IDENTIFIER 'KERNELS' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 end kernels </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-----^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(98): error #5082: Syntax error, found END-OF-STATEMENT when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 kernels </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

---------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(101): error #5082: Syntax error, found IDENTIFIER 'KERNELS' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 end kernels </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-----^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(105): error #5082: Syntax error, found 'DATA' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 end data </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-----^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(143): error #5082: Syntax error, found END-OF-STATEMENT when expecting one of: ( , % . /</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 data present(bec, cp, tvanp,ofsbeta, nh, ityp, qq_nt)  </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

--------------------------------------------------------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(151): error #5082: Syntax error, found IDENTIFIER 'PRESENT' when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 kernels present(cp) </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

---------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(153): error #5082: Syntax error, found IDENTIFIER 'KERNELS' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 end kernels </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-----^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(155): error #5082: Syntax error, found IDENTIFIER 'PRIVATE' when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 parallel private(ia, is, iv, jv, rsum_v) reduction (+:rsum) vector_length(32) & </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

----------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(155): error #5082: Syntax error, found '+' when expecting one of: <IDENTIFIER></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 parallel private(ia, is, iv, jv, rsum_v) reduction (+:rsum) vector_length(32) & </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-----------------------------------------------------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(157): error #5082: Syntax error, found IDENTIFIER 'GANG' when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 loop gang  </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(164): error #5082: Syntax error, found IDENTIFIER 'VECTOR' when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 loop vector collapse(2) reduction(+:rsum_v)</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(164): error #5082: Syntax error, found IDENTIFIER 'REDUCTION' when expecting one of: :: ) ( , : * <END-OF-STATEMENT> ; . % (/ + - [ ] /) . = ' ** / ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 loop vector collapse(2) reduction(+:rsum_v)</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-------------------------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(176): error #5082: Syntax error, found IDENTIFIER 'PARALLEL' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 end parallel </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-----^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(177): error #5082: Syntax error, found 'DATA' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 end data</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

-----^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(216): error #5082: Syntax error, found IDENTIFIER 'PRESENT' when expecting one of: ) ( , : <END-OF-STATEMENT> ; % [ . = / =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 & present(ibgrp_g2l, nh, ofsbeta, qq_nt, ityp, tvanp, betae)  </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

---^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(216): error #5082: Syntax error, found END-OF-STATEMENT when expecting one of: :</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 & present(ibgrp_g2l, nh, ofsbeta, qq_nt, ityp, tvanp, betae)  </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

---------------------------------------------------------------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(217): error #5082: Syntax error, found IDENTIFIER 'PRESENT' when expecting one of: ( : % [ . = =></p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

 kernels present(csc)  </p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

---------^</p>

<p style="margin:0px; font-style:normal; font-variant-caps:normal; font-stretch:normal; font-size:13px; line-height:normal; font-family:"Helvetica Neue"; font-size-adjust:none; font-kerning:auto; font-variant-alternates:normal; font-variant-ligatures:normal; font-variant-numeric:normal; font-variant-east-asian:normal; font-feature-settings:normal">

gram.f90(219): error #5082: Syntax error, found IDENTIFIER 'KERNELS' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

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 end kernels </p>

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-----^</p>

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gram.f90(221): error #5082: Syntax error, found IDENTIFIER 'PRESENT' when expecting one of: ( : % [ . = =></p>

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 kernels present(cp_tmp) </p>

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---------^</p>

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gram.f90(227): error #5082: Syntax error, found IDENTIFIER 'KERNELS' when expecting one of: <END-OF-STATEMENT> ; TYPE MODULE FUNCTION SUBROUTINE PROCEDURE BLOCK DO FORALL ...</p>

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 end kernels </p>

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-----^</p>

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/tmp/ifx0955286960Qlmjed/ifxwhM11h.i90(236): catastrophic error: Too many errors, exiting</p>

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compilation aborted for gram.f90 (code 1)</p>

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make[2]: *** [../../make.inc:16: gram.o] Error 1</p>

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make[2]: Leaving directory '/opt/q-e-qe-7.2/CPV/src'</p>

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make[1]: *** [Makefile:7: all] Error 1</p>

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make[1]: Leaving directory '/opt/q-e-qe-7.2/CPV'</p>

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make: *** [Makefile:75: cp] Error 1</p>

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<br>

</p>

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<br>

</p>

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As far as I understand, the compiler is signaling that a large number of syntax errors have been caused, which is strange because in that case the code would not compile with other compilers. Could you please advise what could be the issue?</p>

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<br>

</p>

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Best, </p>

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Sergei</p>

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<br>

</p>

<div><br>

<blockquote type="cite">

<div>23 авг. 2023 г., в 2:51 AM, Pietro Davide Delugas <pdelugas@sissa.it> написал(а):</div>

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Hello</div>

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<br>

</div>

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tried with Intel suite version 2023.2 this morning, and it works for me. </div>

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<br>

</div>

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There may be a slight problem in the configuration though. The configure script recognizes that the  compiler is intel and sets in the make.inc F90=ifort instead of F90=ifx, which may be the cause of your problems. But  I set F90=ifx manually in the make.inc. 

 before compiling, and I haven't checked what happens otherwise. </div>

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 </div>

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hope it helps </div>

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Pietro</div>

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<font face="Calibri, sans-serif" style="font-size:11pt"><b>Da:</b><span class="x_Apple-converted-space"> </span>users <users-bounces@lists.quantum-espresso.org> per conto di Kliavinek, Sergei <skliavin@caltech.edu><br>

<b>Inviato:</b><span class="x_Apple-converted-space"> </span>martedì 22 agosto 2023 21:34<br>

<b>A:</b><span class="x_Apple-converted-space"> </span>users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>

<b>Oggetto:</b><span class="x_Apple-converted-space"> </span>[QE-users] QE 7.2 compilation with new Intel compilers</font>

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Dear QE developers, 

<div><br>

</div>

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I am currently working on compiling QE using the new Intel compilers. My compile command is as follows:</div>

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<br>

wget https://github.com/QEF/q-e/archive/refs/tags/qe-7.2.zip && \</div>

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    unzip qe-7.2.zip && \</div>

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    cd q-e-qe-7.2 && \</div>

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    ./configure F90=ifx CC=mpiicx CFLAGS=-O3 FFLAGS=-O3 MPIF90=mpiifx  --with-hdf5="/opt/hdf5" --enable-wannier90 && \</div>

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    make all && \</div>

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    rm ../qe-7.2.zip</div>

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<br>

</div>

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Unfortunately, I get an error when I run it:</div>

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<br>

1117.3 mbdlib.f90(26): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [MBD]</div>

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1117.3   USE mbd,              ONLY : mbd_input_t, mbd_calc_t</div>

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1117.3 ------^</div>

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1117.3 mbdlib.f90(40): error #6406: Conflicting attributes or multiple declaration of name.   [MBD_INPUT_T]</div>

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1117.3   TYPE(mbd_input_t):: inp</div>

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1117.3 -------^</div>

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1117.3 mbdlib.f90(41): error #6406: Conflicting attributes or multiple declaration of name.   [MBD_CALC_T]</div>

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1117.3   TYPE(mbd_calc_t):: calc</div>

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1117.3 -------^</div>

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1117.3 mbdlib.f90(26): error #6580: Name in only-list does not exist or is not accessible.   [MBD_INPUT_T]</div>

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1117.3   USE mbd,              ONLY : mbd_input_t, mbd_calc_t</div>

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1117.3 -------------------------------^</div>

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1117.3 mbdlib.f90(26): error #6580: Name in only-list does not exist or is not accessible.   [MBD_CALC_T]</div>

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1117.3   USE mbd,              ONLY : mbd_input_t, mbd_calc_t</div>

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1117.3 --------------------------------------------^</div>

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1117.3 mbdlib.f90(63): error #6404: This name does not have a type, and must have an explicit type.   [INP]</div>

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1117.3   ALLOCATE(inp%atom_types(nat))</div>

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1117.3 -----------^</div>

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1117.3 mbdlib.f90(82): error #6303: The assignment operation or the binary expression operation is invalid for the data types of the two operands.   [TRIM]</div>

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1117.3     inp%atom_types(na) = trim(atm(ityp(na)))</div>

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1117.3 -------------------------^</div>

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1117.3 mbdlib.f90(84): error #6366: The shapes of the array expressions do not conform.   [INP]</div>

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1117.3   inp%coords = tau*alat  ! HK-TODO: this one works for PW (check if it is for CP)</div>

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1117.3 --^</div>

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1117.3 mbdlib.f90(90): error #6366: The shapes of the array expressions do not conform.   [INP]</div>

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1117.3     inp%lattice_vectors = at*alat  ! Lattice vector in real space</div>

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1117.3 ----^</div>

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1117.3 mbdlib.f90(94): error #6366: The shapes of the array expressions do not conform.   [INP]</div>

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1117.3       inp%k_grid = [nk1, nk2, nk3]</div>

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1117.3 ------^</div>

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1117.3 mbdlib.f90(101): error #6366: The shapes of the array expressions do not conform.   [INP]</div>

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1117.3       inp%k_grid = [1, 1, 1] !set default k points grid</div>

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1117.3 ------^</div>

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1117.3 mbdlib.f90(122): error #6404: This name does not have a type, and must have an explicit type.   [CALC]</div>

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1117.3   CALL calc%init(inp)</div>

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1117.3 -------^</div>

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1117.3 mbdlib.f90(184): error #6830: The argument of the ALLOCATED intrinsic cannot be a constant or an expression.   [INP]</div>

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1117.3   IF(ALLOCATED(inp%atom_types)) DEALLOCATE(inp%atom_types)</div>

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1117.3 ---------------^</div>

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1117.3 compilation aborted for mbdlib.f90 (code 1)</div>

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1117.3 make[1]: *** [../make.inc:16: mbdlib.o] Error 1</div>

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1117.3 make[1]: Leaving directory '/opt/q-e-qe-7.2/Modules'</div>

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1117.3 make: *** [Makefile:194: mods] Error 1</div>

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Could you please provide your thoughts, what could be the solution here?<br>

Also, perhaps, you have already compiled QEs with the new compilers and know which options to use - if so, I'd appreciate that information!</div>

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<br>

</div>

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Best, </div>

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Sergei</div>

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<br>

</div>

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<br>

</div>

</div>

</div>

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">_______________________________________________</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">The

 Quantum ESPRESSO community stands by the Ukrainian</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">people

 and expresses its concerns about the devastating</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">effects

 that the Russian military offensive has on their</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">country

 and on the free and peaceful scientific, cultural,</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">and

 economic cooperation amongst peoples</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">_______________________________________________</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">Quantum

 ESPRESSO is supported by MaX (www.max-centre.eu)</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">users

 mailing list users@lists.quantum-espresso.org</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none">

<span style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; text-decoration:none; float:none; display:inline!important">https://lists.quantum-espresso.org/mailman/listinfo/users</span></div>

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