<div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr">Thanks Pietro,<div>Indeed adding -i8 to FF_FLAGS and FOX_FLAGS in make.inc helped, but I had to comment line 352 in qmmm.f90 which was causing ifort to complain (I don't plan to use qmmm anyway):</div><div><div>qmmm.f90(352): warning #6075: The data type of the actual argument does not match the definition. [NAT_MM]</div><div> CALL ec_fill_radii( aradii, nat_mm, mass, types, ntypes, 1 )</div><div>------------------------------------^</div><div>qmmm.f90(352): error #6633: The type of the actual argument differs from the type of the dummy argument. [TYPES]</div><div> CALL ec_fill_radii( aradii, nat_mm, mass, types, ntypes, 1 )</div><div>--------------------------------------------------^</div><div>qmmm.f90(352): warning #6075: The data type of the actual argument does not match the definition. [NTYPES]</div><div> CALL ec_fill_radii( aradii, nat_mm, mass, types, ntypes, 1 )</div><div>---------------------------------------------------------^</div><div>compilation aborted for qmmm.f90 (code 1)</div></div><div><br></div><div>However, subsequent run of the test suite failed, I get the following error for each test run:</div><div>Attempting to use an MPI routine before initializing MPI<br></div><div><div>*** error in Message Passing (mp) module ***</div><div>*** error code: 8000</div></div><div><br></div><div>What could be the cause? Just to double-check, I re-built from the same source (QE 6.4) without -i8 and the tests went OK.</div><div><br></div><div>Thanks,</div><div>Michal</div></div></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, 8 Mar 2019 at 10:14, Pietro Davide Delugas <<a href="mailto:pdelugas@sissa.it">pdelugas@sissa.it</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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<div class="gmail-m_9070104435944307473moz-cite-prefix">hello Michal <br>
<br>
in the make.inc you should add the -i8 flag also to FOX_FLAGS in
order that routines in FoX library are also compiled using long
integers <br>
<br>
after editing the make.inc file do a make clean before compiling.
<br>
Pietro <br>
<br>
On 03/08/2019 10:55 AM, Michal Krompiec wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">Hello,
<div>I'm trying to run a TDDpFT calculation on a large
system, using HSE06 functional. Turbo_lanczos crashes
with the following message:</div>
<div>
<div> Error in routine diropn (3):</div>
<div> wrong record length</div>
</div>
<div><br>
</div>
<div>I found a similar (?) problem discussed previously (<a href="https://pw-forum.pwscf.narkive.com/6QjNE4Dw/wrong-record-length" target="_blank">https://pw-forum.pwscf.narkive.com/6QjNE4Dw/wrong-record-length</a>
) but the solution posted there (compilation with the
-i8 flag to prevent integer overflow) doesn't work for
me - build fails with the following error:</div>
<div>
<div>fox_init_module.f90(22): error #6285: There is no
matching specific subroutine for this generic
subroutine call. [SETUP_IO]</div>
<div> CALL setup_io(ERR_CODE = errcodes(1),
EOR_CODE = errcodes(2), EOF_CODE = errcodes(3))</div>
<div>-----------^</div>
<div>compilation aborted for fox_init_module.f90 (code
1)</div>
<div><br>
</div>
</div>
<div>I would be very grateful for any advice.</div>
<div>Thanks,</div>
<div>Michal Krompiec</div>
<div>
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