Re: [lammps-users] Problem with Lammps install

I can only guess, because there are multiple pieces of information missing or difficult to decode:

  • you should turn off native language support via “export LC_ALL=C” so I don’t have to guess what “Instruction non premise” means. I guess it would be “Illegal Instruction”.
  • you need to provide information about the CPU hardware, e.g. from “grep ‘model name’ /proc/cpuinfo | head -1” and “grep flags /proc/cpuinfo | head -1” or “lscpu”
  • you should get a stack trace to identify the location of the failure:

My suspicion is that this crash is caused by the -D Kokkos_ARCH_SKX=yes setting, which enables extended instructions from the Intel Skylake CPU architecture (AVX512), but that your hardware is older and thus not compatible with that. Try changing the CMake settings with: cmake . -DKokkos_ARCH_SKX=no -DKokkos_ARCH_WSM=yes
and recompile.

Dear Axel
Thanks a lot again for your help
I am forgot to pay attention to the Intel Architecture. Sure it is not Sky Lake. Really older. In fact it is a Xeon E5-4650 v2 Ivy bridge based Intel CPU.
I will check first this point using cmake . -DKokkos_ARCH_SKX=no -DKokkos_ARCH_SNB=yes
Thanks again.

Pascal Brault
Directeur de recherche CNRS
GREMI UMR 7344 CNRS Université d’Orléans
+33 2 38 41 71 25