[gmx-users] Re:Re-installation(4.5.3) mdrun crashes?

[Justin A. Lemkul]

lloyd riggs wrote:
> Dear All, (this is a repost as I included no subjectline)
> 
> I have the following error, for both mpi and normal mdrun modes.  I tried both using a pull group for the first time, but when the error persisted, went back and used data/md.mdp files which I know work as a test and get the same errors.
> 
>>> [anode27:16555] *** Process received signal ***
>>> [anode27:16555] Signal: Segmentation fault (11)
>>> [anode27:16555] Signal code: Address not mapped (1)
>>> [anode27:16555] Failing at address: 0x2b56a416a530
>>> [anode27:16555] [ 0] /lib/libpthread.so.0(+0xf010) [0x2b5687981010]
>>> [anode27:16555] [ 1]
>> /home/ubelix/l_insel_ria/l_watkins/lib/libgmx_mpi_d.so.6(+0x20303c) [0x2b56867d603c]
>>> [anode27:16555] *** End of error message ***
> 
> and then a complete core dump.
> 
> If I run an em , it runs, but does not do anything (start=finish).
> 
> I had installed the newest version 4.5.3 a few weeks back, and just realized something has gone wrong, as I used em's to test quickly, but only looked to see if it gave the output files (I mean they were the correct sizes as it runs 50-100 iterations with nothing in any field, such as pressure, energy, etc...and then says converged).
> 
> Does anyone know how to fix this?
> 

If you suspect a faulty installation, then you need to post more information, like:

- compilers used
- cmake or autoconf?
- hardware
- commands used to install

-Justin

> Sincerely
> 
> Stephan Watkins
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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