AMBER Archive (2008)

Subject: AMBER: Amber10 testing problem

From: Cenk \(Jenk\) Andac (cenk_andac_at_yahoo.com)
Date: Tue May 13 2008 - 14:46:02 CDT

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_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu