Thank you, I will read Cray docs again, presently trying to install with gcc 4.8 because 4.9 is showing incompatibility error with the available cudatoolkit. It seems CPU-only installation is successful. However both built in test case and regression-test failed with the following error:
[Tue Mar 31 00:44:27 2015] [c1-0c0s1n1] Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(506): MPID_Init(192).......: channel initialization failed MPID_Init(569).......: PMI2 init failed: 1 Kindly help, With best regards, Satyabrata Das -- 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.
