Dear All,
I am getting an error in running a multi-sander job for TI calculation.
I am running using command:
mpirun -np 8 /root/amber16/bin/sander.MPI -ng 2 -groupfile step1.group
and this is what I am getting:
Running multisander version of sander Amber16
Total processors = 8
Number of groups = 2
Fatal error in PMPI_Bcast: Other MPI error, error stack:
PMPI_Bcast(1525)......: MPI_Bcast(buf=0x2b5c575076a8, count=2897,
MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed
MPIR_Bcast_impl(1369).:
MPIR_Bcast_intra(1160):
MPIR_SMP_Bcast(1077)..: Failure during collective
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 1
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
Please help me
Thanks
Ahsan
--
Mohd Ahsan <https://biotech.iitm.ac.in/Faculty/Sanjib_lab/group.html>
Research Scholar
510, Computational Biophysics Lab,
Department of Biotechnology,
Bhupat and Jyoti Mehta School of Biosciences,
Indian Institute of Technology Madras (IITM),
Chennai - 600 036, Tamil Nadu, India.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Feb 10 2018 - 11:30:01 PST
