AMBER Archive (2009)

Subject: Re: [AMBER] Help needed in amber parallel installation

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Fri Mar 20 2009 - 06:34:31 CDT

please search the archives before posting. I found this exact error message
along with a discussion.

On Fri, Mar 20, 2009 at 2:39 AM, <sushobhan_at_iiar.res.in> wrote:

> Dear all,
> I have installed amber serial version in our cluster system which is
> working fine. For the next step I wanted to install the parallel version of
> amber in the same cluster system. But after installation is completed, when
> i am trying to test the installed programs then it is giving me some error
> and the test is failing. Let me first give the steps that i had taken for
> the installation
>
> $AMBERHOME/src
> make clean
> ./configure_amber -mpich2 ifort
> make parallel
> cd $AMBERHOME/test
> set DO_PARALLEL 'mpirun -np 8'
> make test.parallel.MM < /dev/null
>
> after the last step i am getting a failed test with the following error.
>
> MKL func load error: /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_vml_mc2.so:
> undefined symbol: vmlGetErrorCallBack
> ./Run.circdna: Program error
> make[1]: *** [test.sander.GB] Error 1
> make[1]: Leaving directory `/opt/Bio/amber10/test'
> make: *** [test.sander.GB.MPI] Error 2
>
> can any one please help me out with this
>
> thanking you
>
> With regards
>
> Mr. Sushobhan Bandyopadhyay
> Junior Research Fellow
> Bioinformatics & Structural Biology
> Indian Institute of Advanced Research
> Gandhinagar, Gujarat.
> _______________________________________________
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> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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