Hi Jenk,
Are you sure the environment is the same on the machine you are running the test on and the one you compiled on? This looks to me like the LD_LIBRARY_PATH could be different in some way between compilation and testing. Such that sander then looks in the wrong place or at a different MKL version.
You could also try compiling statically and see if that fixes the problem.
You may also simply have not had the MKL library paths added to LD_LIBRARY_PATH. Make sure you source the mkl environment setup scripts in your bashrc / cshrc. E.g. on my machine in /etc/bashrc I have:
source /opt/intel/mkl/10.0.1.014/tools/environment/mklvarsem64t.sh
export MKL_HOME=/opt/intel/mkl/10.0.1.014/
Good luck,
Ross
> -----Original Message-----
> From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
> Of Cenk (Jenk) Andac
> Sent: Tuesday, May 13, 2008 12:46 PM
> To: amber.scripps.edu
> Subject: AMBER: Amber10 testing problem
>
> Dear Amber Community,
>
> I have just installed Amber10.serial on a Linux system. The installation
> went fine with ifort10 and MKL libraries. However, I am having some
> problems testing the sander module of Amber10. As far as I understand the
> MKL library I use seems to act weird or it just could be another bug that
> I am not aware of.
>
>
> Here are the error messages I get when I type "make test"
>
> cd circ_dna && ./Run.circdna
> MKL func load error: /home_palamut2/software/library/intel-
> mkl/lib/em64t/libmkl_vml_mc.so: undefined symbol: vmlGetErrorCallBack
> ./Run.circdna: Program error
> make: *** [test.sander.GB] Error 1
>
> and "make test.serial.QMMM"
>
> cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_internal
> MKL func load error: /home_palamut2/software/library/intel-
> mkl/lib/em64t/libmkl_vml_mc.so: undefined symbol: vmlGetErrorCallBack
> ./Run.1NLN_internal: Program error
> make: *** [test.sander.QMMM] Error 1
>
> I would apprecıate it if an AMBER professional could let me know whether
> there is a workaround for the error messages I am getting.
>
>
> regards,
>
> jenk
>
>
>
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo.scripps.edu
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Wed May 14 2008 - 06:07:48 PDT
