[gmx-users] fix COM

[Justin Lemkul]

On 2/22/16 8:24 PM, Ming Tang wrote:
> Hi Mark,
>
> When I submitted my job to our HPC sever, I got this error message:
> gromacs/5.0.4(14):ERROR:151: Module 'gromacs/5.0.4' depends on one of the module(s) ''
> gromacs/5.0.4(14):ERROR:102: Tcl command execution failed: prereq mpt/2.10
>
> I have been told that the mpt version has been updated to 2.13.  So, I am wondering whether my gromacs 5.0.4 version is not new enough, as when the mpt version on hpc is 2.10, gromacs 5.0.4 works.
>

The problem is that you have a failed dependency, likely due to the upgrade of 
mpt.  But this is all stuff that should be directed to your sys admins, who can 
tell you exactly how to compile code and run jobs on that cluster.  That's what 
they're paid to do :)

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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