Hi, Good to know your system instability issues were resolved.
(As a side-note you could have tried to use elrepo which has newer kernels for CentOS.) The SIMD detection should however not be failing; can you please file an issue on redmine.gromacs.org with cmake invocation, CMakeCache.txt and CMake logs attached. Also please make sure you use the latest patch release, that is 2019.3? Cheers, -- Szilárd On Wed, Sep 18, 2019 at 9:17 AM Stefano Guglielmo < stefano.guglie...@unito.it> wrote: > 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. > -- 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.