Intel® C++ Compiler
Community support and assistance for creating C++ code that runs on platforms based on Intel® processors.
The Intel sign-in experience has changed to support enhanced security controls. If you sign in, click here for more information.
7782 Discussions

Gromacs 2018.2 build with icc hangs after I increase the cores more than 48 on AMD EPYC Processors



I am trying to run gromacs-2018.2 which is compiled with intel compiler 2019 update1and with  MKL  fftw libraries on  AMD EPYC 7601.

Its running properly with NP=32 and 4 threads but when I try to increase the value of NP to 48 or further its hanging without any error. i tried with multiple combinations  of NP and OpenMP all the combinations are failing after I increase the core beyond NP=48.

For compilation I have only used  "-O3" flags

Do you have any suggestion how to resolve this ?



0 Kudos
0 Replies