Hi,
I’m trying to use USER-INTEL package with a new cluster equipped with “Intel® Xeon® Gold 6130 CPU @ 2.10GHz”. I compiled LAMMPS with “Makefile.intel_cpu_intelmpi_intel”, using compiler “the Intel® MPI Library 2017 Update 3 for Linux”. I used “-sf intel” to submit the job.
It works very well for monoatomic EAM potential. I can see the speed is about 2 times faster than the one without “-sf intel”. However, when I use exactly same scripts for a binary EAM potential. It refused to run and always gave an error message as
"===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 358866 RUNNING AT node063
= EXIT CODE: 11
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES