From: HEMANTH H (hemanth.h_at_iitgn.ac.in)
Date: Sun Jun 28 2020 - 21:06:26 CDT
The log file is self explanatory. It says that the name of the
configuration file that you'd provided doesn't exist in your current
working directory. Kindly double check if your configuration file is
present in the directory.
Thanks & Regards
On Mon, 29 Jun 2020, 02:18 Ratnika Sharma, <ratnika.usbt.900510_at_ipu.ac.in>
> 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:
> Charm++> Running in non-SMP mode: 1 processes (PEs)
> Charm++> Using recursive bisection (scheme 3) for topology aware partitions
> Converse/Charm++ Commit ID:
> 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: Please visit http://www.ks.uiuc.edu/Research/namd/
> Info: for updates, documentation, and support information.
> Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)
> Info: in all publications reporting results obtained with NAMD.
> 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
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