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<p>I can successfully compiled on QE version 7.1, but not 7.2. The error is still the same. Will focus on 7.1 instead.</p>
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<p>Thank you</p>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Pietro Davide Delugas <pdelugas@sissa.it><br>
<b>Sent:</b> Tuesday, May 23, 2023 1:53:55 PM<br>
<b>To:</b> Quantum ESPRESSO users Forum<br>
<b>Subject:</b> [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive</font>
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As the compiler is compiling a _tmp file, you are most likely using cpp or some external preprocessor.<br>
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You should check that the preprocessing is done by the nvfortran compiler with the -acc option passed.
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Otherwise, you can try adding by hand the -D_OPENACC to the DFLAGS on MANUAL_DFLAGS variables in the "<a href="https://linkprotect.cudasvc.com/url?a=https%3a%2f%2fmake.inc&c=E,1,HmyA3PskZQ5qeVtG4Q1yAyaxvY3WBSkDhsbdYo-81mf48qlnffNkZbxrNSrwZ-ohghIklHmRKvHrVSIFSrOMQpWXSEhX7aCyX5WueTpzu4k7TzM,&typo=1&ancr_add=1">make.inc</a>"
file</div>
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hope it helps <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 Siwakorn Sukharom <siwakorn.suk@ncr.nstda.or.th><br>
<b>Inviato:</b> martedě 23 maggio 2023 06:47<br>
<b>A:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Oggetto:</b> [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive</font>
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<p>I try to compile QE for gpu. My HPC system is <span>AMD EPYC™ 7713 + <span>Nvidia A100, and it is based on Cray programming environment. For compilation, i used <span>nvhpc/22.7 + <span>cray-mpich + <span>cray-fftw</span></span></span></span></span></p>
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<p><span><span>For configure i use this and edit in <a href="https://linkprotect.cudasvc.com/url?a=https%3a%2f%2fmake.inc&c=E,1,7IC9YYHmryApMGmObEMirK88U3gKuouhoPC9I62dtoBBWUjBA6wS5WYOD2jlenY87I10R4NwUiKH3M7CMiqU_VzkQg2LTlO8h5II2rmyC7Zf&typo=1&ancr_add=1">
make.inc</a> later</span></span></p>
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<div><i>./configure --enable-parallel --with-scalapack=no \</i></div>
<div><i>CC=cc CXX=CC FC=ftn F77=ftn F90=ftn MPICC=cc MPICXX=CC MPIF77=ftn MPIF90=ftn \</i></div>
<div><i>FFT_LIBS="-L$FFTW_ROOT/lib -lfftw3" \</i></div>
<div><i>--with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/22.7/cuda --with-cuda-cc=80 --with-cuda-runtime=11.7 --enable-openmp \</i></div>
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<p><span><span>Here is my <a href="https://linkprotect.cudasvc.com/url?a=https%3a%2f%2fmake.inc&c=E,1,vTOabw6bwjBP0UPIfkplp45aJJh7QoDqJbEPtCkbbKjSVR1ExO_ZcfNQ5qxC4tbol36yqrli3Zlk7Ue2tb2M_Ctte5uFEeKRjrtzVNv0MipS_j3p2MRKs1c,&typo=1&ancr_add=1">
make.inc</a></span></span></p>
<p><span><span><a href="https://linkprotect.cudasvc.com/url?a=https%3a%2f%2fdrive.google.com%2ffile%2fd%2f1HfVtuRXsburug_Ks6wcsSDwrA6m0QHaH%2fview%3fusp%3dsharing&c=E,1,Ile1-LGhu7x9_GdIR11Gj5_X320fAJ6ddhsa0hKXfFPyeNEodj8kiSkKIulo2qeQDjgIsqVlH4uVXeO-kTXZP6vM01vv7yJeqLZSXIhOTFk4-9yxkqmTZ_60Ng,,&typo=1" class="x_OWAAutoLink">https://drive.google.com/file/d/1HfVtuRXsburug_Ks6wcsSDwrA6m0QHaH/view?usp=sharing</a><br>
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<p>The error when I compiled is </p>
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<div><i>ftn -O1 -D__FFTW3 -D__CUDA -D__MPI -cuda -gpu=cc80,cuda11.7 -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/src -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/include -acc -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/src
-I. -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//include -I/opt/cray/pe/fftw/3.3.10.3/x86_milan/include -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//upflib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//XClib
-I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//Modules -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//FFTXlib/src -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//LAXlib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//UtilXlib
-I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//MBD -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//KS_Solvers -I../../dft-d3/ -c drhoc_tmp.f90 -o drhoc.o</i></div>
<div><i>NVFORTRAN-F-1225-Unmatched directive END - DATA. (drhoc_tmp.f90: 90)</i></div>
<div><i>NVFORTRAN/x86-64 Linux 22.7-0: compilation aborted</i></div>
<div><i>make[2]: *** [../../<a href="https://linkprotect.cudasvc.com/url?a=https%3a%2f%2fmake.inc%3a16&c=E,1,rkEqr8DQmyGdWxcQ6pByYLuw1fiMLzl0Ez9UFk3EablYF_OVVLBoLnouPTImBp3ylQTLaAz2awaHzrcb5tIV8_X3sHXlFmVGjm1DGT_zNfSqFaMbUrqa4m_bWg,,&typo=1&ancr_add=1">make.inc:16</a>:
drhoc.o] Error 2</i></div>
<div><i>make[2]: *** Waiting for unfinished jobs....</i></div>
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any suggestion?
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<p><span><span><br>
</span></span></p>
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