[gmx-users] How to install GROMACS in Rocks Cluster 4.5.4 : ERROR

[Justin A. Lemkul]

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Miguel Quiliano Meza wrote:
> Dear community.
> 
> Thank you for your help. After doing "./configure" without problems, the 
> system showed ERROR again after "make".Here, I put the steps that I 
> followed, what is my error?. Please help me with your advices. By the 
> way... I made a mistake, I am using Rocks cluster 5.4.
> 
> root at bioinfocluster gromacs-4.5.4]# mpi-selector-menu  
> Current system default: openmpi-1.4-gcc-x86_64
> Current user default:   <none>
> 
>     "u" and "s" modifiers can be added to numeric and "U"
>     commands to specify "user" or "system-wide".
> 
> 1. openmpi-1.4-gcc-i386
> 2. openmpi-1.4-gcc-x86_64
> 3. rocks-openmpi-1.4.1
> 4. sun-ct-8.2.1-i386
> 5. sun-ct-8.2.1-x86_64
> U. Unset default
> Q. Quit
> 
> Selection (1-5[us], U[us], Q): 
> 
> 
>    1. export CPPFLAGS="-I/opt/rocks/include"  
>    2. export LDFLAGS="-L/opt/rocks/lib"  
>    3.  
>    4. ./configure --enable-mpi --prefix=/share/apps/opt/gromacs 
> 
> *
> *
> *Until this point, I did not have errors, then...*
> 
> # make
> ....

The actual error message is somewhere in your ellipsis.  Look at your output 
again and post the real error information.  Also, please copy and paste your 
commands directly from your terminal, rather than from whatever protocol you're 
following.  I sincerely doubt you typed "1. export CPPFLAGS..." as your command.

-Justin

> make[3]: *** [libmd.la <http://libmd.la/>] Error 1
> make[3]: Leaving directory `/share/apps/src/gromacs-4.5.4/src/mdlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/share/apps/src/gromacs-4.5.4/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/share/apps/src/gromacs-4.5.4/src'
> make: *** [all-recursive] Error 1
> 
> *Thanks in advance.
> 
> Miguel.*
> 

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

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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