Cray's compiler is largely/wholly untested. I'd suggest you use the version of gcc that you know works.
For use on a big cluster, you probably don't want Thread MPI anyway. Does cmake -DGMX_MPI work? Mark On Sat, May 18, 2013 at 12:01 AM, Humayun Arafat <hasa...@gmail.com> wrote: > Hi, > > > I need some help for the compilation of gromacs using Cray compilers(CCE). > > I can compile gromacs using GNU compilers but not using CCE. > > I am using gromacs 4.6 and cmake 2.8.4 on Cray XE6 > > > > After doing cmake, when I try to do make, I am getting this error. > > > > CC-20 craycc: ERROR File = > /home/users/me/gromacs/include/thread_mpi/atomic.h, Line = 202 > > The identifier "tMPI_Thread_mutex_t" is undefined. > > static tMPI_Thread_mutex_t tMPI_Atomic_mutex = > TMPI_THREAD_MUTEX_INITIALIZER; > > ^ > > > > Then I checked that the cmake configuration had errors for this atomic.h > header file. > > It does not find any atomic operations for cray compilers. > > Inside this header file, I see that there is nothing for Cray compilers. > > It has GNU,Intel, xlc…. > > My guess is that probably it is not adding any atomic header file for CCE. > > > > > Please suggest me some ways to fix this. > > Thank you for your help. > > > Thanks > > Humayun > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists