[QE-users] QE Multi-GPU mpirun run command

[Louis Stuber]

Dear Vijeta,

Based on QE error convention codes in mp_world.f90, I think this error is CUDA_ERROR_UNSUPPORTED_PTX_VERSION. It can come from an outdated driver, or not passing the right flags to NVCC ("-arch sm_70") or PGI (“-gpu=cc70”). Are you sure that your build really runs with 1 GPU ? In that case, it might be that the 2 GPUs have a different architecture (then use something like “-gpu=cc70,cc80” to specify multiple archs).

Best,
Louis

From: users <users-bounces at lists.quantum-espresso.org> On Behalf Of Vijeta Sharma
Sent: Monday, January 2, 2023 1:05 PM
To: users at lists.quantum-espresso.org
Subject: [QE-users] QE Multi-GPU mpirun run command

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Dear QE researchers,

I am running QE-GPU with the following command for 2 GPU (1 process each GPU):

mpirun -np 2 pw.x -inp data.in

But it is giving error of


*** error in Message Passing (mp) module ***
*** error code: 9422
*** error in Message Passing (mp) module ***
*** error code: 9422

Can anyone provide me the correct mpirun command to run QE on multi-GPU ?



---------------------
Regards,
Vijeta Sharma
Pune, India


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