Hi, I have run REMD for 80648ps. And I have to restart the REMD because of the limited time of super-computing center. However it always failed to restart from 80648ps. The errors are as following:
Fatal error in MPI_Allreduce: Message truncated, error stack: MPI_Allreduce(1339)...............: MPI_Allreduce(sbuf=0x7fff4ac3fa90, rbuf=0x29af530, count=4, MPI_FLOAT, MPI_SUM, comm=0x84000000) fai led MPIR_Allreduce_impl(1180).........: MPIR_Allreduce_intra(410).........: MPIR_Bcast_intra(1524)............: Failure during collective MPIR_Bcast_intra(1499)............: MPIR_Bcast_binomial(147)..........: MPIDI_CH3U_Receive_data_found(129): Message from rank 0 and tag 2 truncated; 260 bytes received but buffer size is 16 I tried to restart the REMD many times and both use remd0.cpt and remd0_prev.cpt. But they all failed and appear error as above. I don't know how to solve the problem. I don't want to run from beginning since I have run such long time(80ns-REMD). Does anyone know how fix such problem? Best regards, Ouyang -- 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.