Issues Installing GPU Version of BerkeleyGW-4.0 with oneAPI HPC Kit

[Ragab Abdelghany]

Dear all,

I am trying to install the GPU version of BerkeleyGW-4.0 using the oneAPI HPC kit (intel-hpckit). I have used the attached arch.mk file for the installation.

However, I am encountering some issues during the testsuite run, resulting in the following error:

forrtl: severe (71): integer divide by zero

The complete output of the testsuite is attached for your reference.

Additionally, when I tested the compiled epsilon.cplx.x with Boron Nitride, I received this error:

GPU acceleration is : ENABLED

Algorithms used:
- mtxel     : OMP_TARGET_ALGO
- sigma_gpp : OMP_TARGET_ALGO
forrtl: severe (71): integer divide by zero
Image              PC                Routine            Line        Source
libpthread-2.28.s  0000147A92538CF0  Unknown               Unknown  Unknown
sigma.cplx.x       0000000000436969  initialize_gpu_co         159  algos_common.f90
sigma.cplx.x       00000000005929CC  sigma                     249  sigma_main.f90
sigma.cplx.x       000000000040A08D  Unknown               Unknown  Unknown
libc-2.28.so       0000147A86A09D85  __libc_start_main     Unknown  Unknown
sigma.cplx.x       0000000000409FAE  Unknown               Unknown  Unknown

Please see the attached file "BN_error.log" for the complete output.

I would appreciate any insights or suggestions to resolve these issues.

Thank you for your assistance.

Best regards,
Ragab

[Mauro Del Ben]

Hi Ragab,

This is usually happening if you are running on a non GPU node, the initialize_gpu function looks for the number of active devices and returns 0. 

Make sure to be on an interactive session on a node with visible GPUs or submit the job using a suitable submission script. 

Best

-M

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