Hi amber community
I am trying to install Amber9 on our opteron cluster. I have installed
openmpi with Intel compilers icc, icpc and ifort. The installation went
well.
After setting the environment, I want to install parallel version of amber.
When I start configuration, config.h file is created with an error as shown
in below.
shell % ./configure -openmpi -opteron ifort_x86_64
AMBERHOME is set to /u2/daga/amber9
Setting up Amber configuration file for architecture: ifort_x86_64
Using parallel communications library: openmpi
MPI_HOME is set to /usr/local
/usr/local/bin/mpif90: error while loading shared libraries: libintlc.so.5:
cannot open shared object file: No such file or directory
MKL_HOME is set to /opt/intel/mkl/10.0.1.014
Using MKL libraries from /opt/intel/mkl/10.0.1.014/lib/em64t
The configuration file, config.h, was successfully created.
When I use this config.h file for next step,
shell % make parallel
Starting installation of Amber9 (parallel) at Wed Jun 4 10:53:46 CDT 2008.
cd sander; make parallel
make[1]: Entering directory `/u2/daga/amber9/src/sander'
./checkparconf
cpp -traditional -I/usr/local/include -P -DMPI -DMKL evb_vars.f >
_evb_vars.f
cpp: invalid option -traditional
make[1]: *** [evb_vars.o] Error 1
make[1]: Leaving directory `/u2/daga/amber9/src/sander'
make: *** [parallel] Error 2
Could you please explain me where am I wrong? Do I need to change the
config.h file when I use Intel compilers?
Thanks and regards
Pankaj
===============================================================
If your ship doesn't come in, swim out to it...Jonathan Winters
===============================================================
Pankaj R. Daga |
Dept. of Medicinal Chemistry | e-mail: pdaga_at_olemiss.edu
417 Faser Hall, | fax: +1-662-915-5638
University of Mississippi | phone: +1-662-915-1853
University, MS, 38677-1848 |
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Received on Sun Jun 08 2008 - 06:07:14 PDT
