[gmx-users] GMXRC execution problem on centos

[Justin Lemkul]

The only way I can reproduce the error is by incorrectly executing GMXRC.  If 
one tries:

source /usr/local/gromacs/bin/GMXRC

it works just fine.  If, from /usr/local/gromacs/bin, you directly run:

./GMXRC

you get the errors you quote below.  The error indicates that you are not 
correctly sourcing the script ("can only `return' from a function or sourced 
script").

-Justin

On 12/29/12 9:17 AM, Ayush Singhal wrote:
>
>
>
> After installing Gromacs i sourced the GMXRC as mentioned in installation guide:
>
> source /usr/local/gromacs/bin/GMXRC
>
> But executing the command GMXRC in shell i get below error:
>
>>>> /usr/local/gromacs/bin/GMXRC: line 35: return: can only `return' from a >>> function or sourced script >>> /usr/local/gromacs/bin/GMXRC: line 44: CSH:: command not found >>> /usr/local/gromacs/bin/GMXRC.csh: line 8: syntax error near unexpected >>token >>> `setenv' >>> /usr/local/gromacs/bin/GMXRC.csh: line 8: `if (! $?LD_LIBRARY_PATH) >>setenv >>> LD_LIBRARY_PATH ""'
>
> Please can you suggest some legible solution for the same.....???
>
>
> Thanking You...
>
> ---Ayush
>

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
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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