[gmx-users] gromac 4.0.4 g utilities freeze the OS with Out of Memory

Justin A. Lemkul jalemkul at vt.edu
Sun Mar 8 00:26:49 CET 2009

Mark Abraham wrote:
> ----- Original Message -----
> From: nam kim <namkkim at gmail.com>
> Date: Saturday, March 7, 2009 6:46
> Subject: [gmx-users] gromac 4.0.4 g utilities freeze the OS with Out of	Memory
> To: gmx-users at gromacs.org
>> I have experienced OS (RedHat Enterprise) for a hour or 3 hours
>> whiling using gromacs 4.0.4 g-utilities such as g_vanhove.
>> My log error messages are:
>> Out of Memory  g_vanhove_mpi
>> Out of Memory g_anaeig_mpi
>> Are g-utilites of Gromacs 4.0.4 buggy?
> Not on this evidence. See http://wiki.gromacs.org/index.php/Errors#Cannot_allocate_memory

Also, were these utilities actually compiled with mpicc?  I don't believe any of 
the code is intended for parallel use except for mdrun.  So if you are trying to 
run these tools in parallel, or if they were compiled improperly, then they will 
probably cause problems.


> Mark
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Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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