vasp 5.4.1 seg faults
Posted: Thu Apr 01, 2021 3:30 pm
Hi,
I am moving a VASP 5.4.1 installation from an old cluster installation (CentOS 6 with Intel 16 toolchain) to a new installation (CentOS 8 with the newest Intel OneAPI HPC kit). I am using the same makefile.include file with a minor change to reflect the different location of MKL. But the code that used to run on the old cluster seg faults on the new cluster. Can you give me some pointers on how to debug this problem? I've attached the relevant environment variables, makefile.include file that was used to build VASP 5.4.1 on the new cluster, and the error message produced by the seg fault. Thanks.
Steven
I am moving a VASP 5.4.1 installation from an old cluster installation (CentOS 6 with Intel 16 toolchain) to a new installation (CentOS 8 with the newest Intel OneAPI HPC kit). I am using the same makefile.include file with a minor change to reflect the different location of MKL. But the code that used to run on the old cluster seg faults on the new cluster. Can you give me some pointers on how to debug this problem? I've attached the relevant environment variables, makefile.include file that was used to build VASP 5.4.1 on the new cluster, and the error message produced by the seg fault. Thanks.
Steven