Re: [AMBER] Error in running energy minimization

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 6 Feb 2012 08:26:30 -0500

On Mon, Feb 06, 2012, DEBOSTUTI GHOSHDASTIDAR wrote:

> *** Process received signal ***
> Signal: Segmentation fault (11)
> Signal code: Address not mapped (1)
> Failing at address: 0x2b6ad2b1eec8
> [0,1,9][btl_tcp_frag.c:202:mca_btl_tcp_frag_recv]
> [nobel6][0,1,16][btl_tcp_frag.c:202:mca_btl_tcp_frag_recv]
> mca_btl_tcp_frag_recv: readv failed with errno=104
> [0,1,24][btl_tcp_frag.c:202:mca_btl_tcp_frag_recv] mca_btl_tcp_frag_recv:
> readv failed with errno=104
> [ 0] /lib64/libpthread.so.0 [0x3186e0de80]
> [ 1] sander.MPI(nb_adjust_+0x649) [0x5080b9]
> [ 2] sander.MPI(ewald_force_+0x135b) [0x50aa8b]

Does the minimization work in serial mode? Do the test cases pass in parallel
mode?

> *Also in the output file in both the cases with conjugate gradient and
> without it I am getting the following note.*
>
> | Note: 1-4 EEL scale factors were NOT found in the topology file.
> | Using default value of 1.2.
>
> | Note: 1-4 VDW scale factors were NOT found in the topology file.
> | Using default value of 2.0.

These are informational messages, not errors (unless you don't wish to use the
default values for these scaling factors).

...dac


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Received on Mon Feb 06 2012 - 05:30:05 PST
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