AMBER Archive (2006)

Subject: RE: AMBER: Problem with shared libraries:

From: Priti Hansia (
Date: Fri May 05 2006 - 13:39:50 CDT

Dear Ross,

I can't locate on my system ! I have downloaded both ifort and
mkl from intel website and installed them. But there seems to be no file
called '' in the lib directory where the intel compiler is

However, adding ' source /opt/intel/fce/9.0/bin/ ' to .bashrc
worked :) I then started running 'make test' which seemed to be working
until it gave the following error:

cd qmmm/divcon; ./Run.crambin
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
sander.QMMM 080DCD3D Unknown Unknown Unknown
sander.QMMM 080DB598 Unknown Unknown Unknown
sander.QMMM 0808AD6F Unknown Unknown Unknown
sander.QMMM 0806818A Unknown Unknown Unknown
sander.QMMM 080649B2 Unknown Unknown Unknown
sander.QMMM 0804A3E5 Unknown Unknown Unknown B7C7C34E Unknown Unknown Unknown
sander.QMMM 0804A321 Unknown Unknown Unknown
  ./Run.crambin: Program error
make: *** [test.sander.QMMM] Error 1

I also tried the static installation but there also I encountered some
problem. I am attching the config.h file and the error message.


> Dear Priti,
> Check where is on your system:
> locate
> This should be in the lib directory where the intel compiler is
> You can then either make sure this directory is in your path by manually
adding it or make sure that you source the Intel setup script in your
.bashrc or .cshrc as specified in the ifort manual. E.g.:
> source /opt/intel/fce/9.0/bin/
> If the problem still happens after this then it is likely to be some
incompatibility between the operating system and the intel compilers. I
would contact Intel support about the issue.
> Another option you could try is to compile AMBER statically:
> cd $AMBERHOME/src
> ./configure -p4 -static ifort
> make clean
> make
> This should make the problem go away...
> All the best
> Ross

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