[QE-users] Error in mpirun with gpu accelertated version of QE

[Savy B]

Hello everyone,

I have configured the latest version of gpu accelerated QE 6.7. I have
installed cuda toolkit, nvidia driver and PGI compiler. but pw.x is not
running in my gpu.

I use following command to run in gpu accelaeratiion mode:

mpirun -use-hwthread-cpus '/home/savy/qe-gpu-6.7/bin/pw.x' < gr.scf.in |tee
gr.scf.out


only mpirun is not using the gpu.

I am facing the following errors:

*beginning of the program:*


--------------------------------------------------------------------------
[[50182,1],2]: A high-performance Open MPI point-to-point messaging module
was unable to find any relevant network interfaces:

Module: OpenFabrics (openib)
  Host: savypc

Another transport will be used instead, although this may result in
lower performance.

NOTE: You can disable this warning by setting the MCA parameter
btl_base_warn_component_unused to 0.
--------------------------------------------------------------------------

*ending of the program:*

0: ALLOCATE: 139214592 bytes requested; status = 2(out of memory)
0: ALLOCATE: 139215744 bytes requested; status = 2(out of memory)
0: ALLOCATE: 139214592 bytes requested; status = 2(out of memory)
0: ALLOCATE: 139217472 bytes requested; status = 2(out of memory)
0: ALLOCATE: 139217472 bytes requested; status = 2(out of memory)
0: ALLOCATE: 139215744 bytes requested; status = 2(out of memory)
0: ALLOCATE: 139216320 bytes requested; status = 2(out of memory)
0: ALLOCATE: 92810880 bytes requested; status = 2(out of memory)
0: ALLOCATE: 92809728 bytes requested; status = 2(out of memory)
0: ALLOCATE: 92810880 bytes requested; status = 2(out of memory)
0: ALLOCATE: 92811648 bytes requested; status = 2(out of memory)
0: ALLOCATE: 139216320 bytes requested; status = 2(out of memory)
0: ALLOCATE: 92811648 bytes requested; status = 2(out of memory)
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status,
thus causing
the job to be terminated. The first process to do so was:

  Process name: [[50182,1],0]
  Exit code:    127


My pc configuration:
AMD Ryzen 2700x (8 core, 16 threads),
16 GB RAM,
GTX 1660 graphics card.

Kindly help me to solve this issue.

Regards.
Savy.
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