[QE-users] Compilation error with QE-7.3.1+hdf5

Mpayami mpayami at aeoi.org.ir
Wed Dec 18 04:08:41 CET 2024


Dear Vahid,

Please notice to the messages containing double-stashes like this: 
vaskarpo/bin/qe-7.3.1//external/devxlib/src


Mahmoud Payami

----- Original Message -----
From: Vahid Askarpour (vh261281 at dal.ca)
Date: 28/09/1403 02:46
To: Quantum ESPRESSO users Forum (users at lists.quantum-espresso.org)
Subject: [QE-users] Compilation error with QE-7.3.1+hdf5

Dear QE Community,

With gcc/12.3, openmpi/4.1.5, mkl, and hdf5 modules loaded, I configure QE-7.3.1 with

./configure --prefix=/home/vaskarpo/bin/qe-7.3.1 --with-hdf5=yes --with-hdf5-libs='-L/cvmfs/soft.computecanada.ca/easybuild/software/2023/x86-64-v4/Compiler/intel2023/hdf5/1.14.2/lib -lhdf5 -lhdf5_fortran' --with-hdf5-include=/cvmfs/soft.computecanada.ca/easybuild/software/2023/x86-64-v4/Compiler/intel2023/hdf5/1.14.2/include

When executing “make pw”, I get the following error:

mpif90 -O3 -g -fallow-argument-mismatch -cpp -D__DFTI -D__MPI -D__SCALAPACK -D__HDF5_SERIAL -D__HDF5  -I/home/vaskarpo/bin/qe-7.3.1//external/devxlib/src -I. -I/home/vaskarpo/bin/qe-7.3.1//include -I/cvmfs/soft.computecanada.ca/easybuild/software/2023/x86-64-v3/Core/imkl/2023.2.0/mkl/2023.2.0/include -I/cvmfs/soft.computecanada.ca/easybuild/software/2023/x86-64-v4/Compiler/intel2023/hdf5/1.14.2/include -I/home/vaskarpo/bin/qe-7.3.1//upflib -I/home/vaskarpo/bin/qe-7.3.1//XClib -I/home/vaskarpo/bin/qe-7.3.1//Modules -I/home/vaskarpo/bin/qe-7.3.1//FFTXlib/src -I/home/vaskarpo/bin/qe-7.3.1//LAXlib -I/home/vaskarpo/bin/qe-7.3.1//UtilXlib -I/home/vaskarpo/bin/qe-7.3.1//MBD -I/home/vaskarpo/bin/qe-7.3.1//KS_Solvers  -c qeh5_module.f90
f951: Fatal Error: Reading module ‘/cvmfs/soft.computecanada.ca/easybuild/software/2023/x86-64-v4/Compiler/intel2023/hdf5/1.14.2/include/hdf5.mod’ at line 1 column 2: Unexpected EOF
compilation terminated.
make[1]: *** [../make.inc:16: qeh5_module.o] Error 1
make[1]: Leaving directory '/home/vaskarpo/bin/qe-7.3.1/Modules'
make: *** [Makefile:194: mods] Error 1

Is this a bug or an error on my part?

Thanks,
Vahid

Vahid Askarpour
Department of Physics and Atmospheric Science
Dalhousie University
Halifax, NS, CANADA
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