Hi all, an update, hopefully the last one, I have been annoying you for too long. I decided to replace centOS with Mint 19.2. I compiled Gromacs 2019.2, setting -DGMX_SIMD=AUTO resulted again in the same error of compilation of detect program (Did not detect build CPU vendor - detection program did not compile - Detection for best SIMD instructions failed, using SIMD - None -- SIMD instructions disabled). So I set manually -DGMX_SIMD to avx2_128 or avx2_256. The compilation worked fine and I tried to run the two simulations in parallel on the two gpus (gmx mdrun -deffnm run -nb gpu -pme gpu -ntomp 28 -ntmpi 1 -npme 0 -gputasks 00 -pin on -pinoffset 0 -pinstride 1 plus gmx mdrun -deffnm run2 -nb gpu -pme gpu -ntomp 28 -ntmpi 1 -npme 0 -gputasks 11 -pin on -pinoffset 28 -pinstride 1) and in both cases the system proved stable without any crash. Maybe the old kernel of centos (3.10) was not that smart in managing the cpu (I also found some posts on the web regarding issues of threadripper 2990wx and centos). Still I can not find an explanation of the compilation error of detect program. Anyway, thanks to all of you for sharing suggestions and opinions, Stefano
-- Stefano GUGLIELMO PhD Assistant Professor of Medicinal Chemistry Department of Drug Science and Technology Via P. Giuria 9 10125 Turin, ITALY ph. +39 (0)11 6707178 <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> Mail priva di virus. www.avast.com <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2> -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.