Hi,
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 ?