AMBER Archive (2005)

Subject: AMBER: what is wrong with my amber job or installation?

From: Amber (amber_at_compbio.iupui.edu)
Date: Wed Apr 13 2005 - 13:57:56 CDT

Dear all,

I'm having trouble with Amber8, I have never used this program before and I'm trying to install it on one of the labs computers. The commands I used to install: ./configure -mpi & make parallel after that I cd ../test make test, all of the installation works no errors.
$AMBERHOME=/export/shared_apps/amber8-new/
$MKL_HOME=/export/shared_apps/intel/mkl72
and the exe is set.

When I run this script:
cat <<eof > mdin
 minimize structure
&cntrl
  imin=1, maxcyc=1000
  cut=10.0,
  ncyc=500,
  ntr=1, ntb=1,
  ntr=1
/
Hold the protein fixed
500.0
RES 1 247
END
END
eof
nohup sander -O -i mdin -o ER_TAM_solv_mini.out -p
../PREP/ER_TAM_solvate.top -c ../PREP/ER_TAM_solvate.crd -r
ER_TAM_solv_mini.rst -ref ../PREP/ER_TAM_solvate.crd &

The output:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libc.so.6 001AFF79 Unknown Unknown Unknown

Stack trace terminated abnormally.

Do you have any ideas on what I should do? Any suggestions will be greatly appreciated.

Dustin

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