From: Ratnika Sharma (ratnika.usbt.900510_at_ipu.ac.in)
Date: Sun Jun 28 2020 - 15:45:27 CDT
I'm trying to run NAMD Simulations. However, I'm getting the following
error. Kindly help in troubleshooting.
Charm++> Running on MPI version: 2.0
Charm++> level of thread support used: MPI_THREAD_SINGLE (desired:
MPI_THREAD_SINGLE)
Charm++> Running in non-SMP mode: 1 processes (PEs)
Charm++> Using recursive bisection (scheme 3) for topology aware partitions
Converse/Charm++ Commit ID:
v6.10.1-0-gcc60a79-namd-charm-6.10.1-build-2020-Mar-05-18422
Charm++> Disabling isomalloc because mmap() does not work.
CharmLB> Load balancer assumes all CPUs are same.
Charm++> Running on 1 hosts (1 sockets x 2 cores x 2 PUs = 4-way SMP)
Charm++> cpu topology info is gathered in 0.001 seconds.
Info: NAMD 2.14b2 for Win64-MPI
Info:
Info: Please visit http://www.ks.uiuc.edu/Research/namd/
Info: for updates, documentation, and support information.
Info:
Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)
Info: in all publications reporting results obtained with NAMD.
Info:
Info: Based on Charm++/Converse 61001 for mpi-win64
Info: Built Thu, Jun 25, 2020 12:47:34 PM by jim on europa
Info: Running on 1 processors, 1 nodes, 1 physical nodes.
Info: CPU topology information available.
Info: Charm++/Converse parallel runtime startup completed at 0.00300002 s
Info: 3.11328 MB of memory in use based on GetProcessMemoryInfo
Info: Configuration file is runme.namd
FATAL ERROR: Unable to access config file runme.namd
[Partition 0][Node 0] End of program
I am new to this. Please tell me where to look for the possible error
source.
Thanks
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