AMBER Archive (2009)

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

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Fri Mar 20 2009 - 10:40:30 CDT

See: http://archive.ambermd.org/200712/0134.html

> -----Original Message-----
> From: amber-bounces_at_ambermd.org [mailto:amber-bounces_at_ambermd.org] On
> Behalf Of sushobhan_at_iiar.res.in
> Sent: Thursday, March 19, 2009 11:40 PM
> To: amber_at_ambermd.org
> Subject: [AMBER] Help needed in amber parallel installation
>
> 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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