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

[Pietro Davide Delugas]

Hello
The compiler complains about a failure to read the hdf5.mod file that the hdf5 library provides.
There's probably been some unnoticed problem when they installed it, and the Fortran support is not working.
You could reinstall it and check that the compilation was successful. It's pretty easy and quick to do.
I hope it helps.
best regards
Pietro

________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Vahid Askarpour <vh261281 at dal.ca>
Sent: Wednesday, December 18, 2024 00:15
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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