Hi,
I am getting some mpi error while executing the GPU version of QE 7.3.1. I
have used the following commands to install:
module purge
module load nvhpc_23.5/nvhpc/23.5
./configure --with-cuda=$PATH --with-cuda-cc=70 --with-cuda-runtime=12.1
--enable-parallel --enable-openmp --with-cuda-mpi=yes MPIF90=mpif90
FC=nvfortran CC=nvc CXX=nvc++
The nvcc -V shows cuda 12.2. The installation was smooth and all the
binaries were generated. Then I went to the bin and typed ./pw.x.
Unfortunately, this shows:
[login02:158963] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required
executable either could not be found or was not executable by this user in
file ../../../../../orte/mca/ess/singleton/ess_singleton_module.c at line
388
[login02:158963] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required
executable either could not be found or was not executable by this user in
file ../../../../../orte/mca/ess/singleton/ess_singleton_module.c at line
166
--------------------------------------------------------------------------
Sorry! You were supposed to get help about:
orte_init:startup:internal-failure
But I couldn't open the help file:
/proj/nv/libraries/Linux_x86_64/23.5/openmpi/227312-rel-2/share/openmpi/help-orte-runtime:
No such file or directory. Sorry!
--------------------------------------------------------------------------
--------------------------------------------------------------------------
Sorry! You were supposed to get help about:
mpi_init:startup:internal-failure
But I couldn't open the help file:
/proj/nv/libraries/Linux_x86_64/23.5/openmpi/227312-rel-2/share/openmpi/help-mpi-runtime.txt:
No such file or directory. Sorry!
--------------------------------------------------------------------------
*** An error occurred in MPI_Init_thread
*** on a NULL communicator
*** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,
*** and potentially your MPI job)
[login02:158963] Local abort before MPI_INIT completed completed
successfully, but am not able to aggregate error messages, and not able to
guarantee that all other processes were killed!
Any solutions?
Regards,
**********************************************
Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D
Assistant Professor,
Room No. 2221, CC-1,
Electronic Structure Theory Group,
Department of Electronics and Communication Engineering,
Indian Institute of Information Technology-Allahabad
Uttar Pradesh 211 012
India
Telephone: 91-532-2922000 Extn.: 2131
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
