[gmx-users] install problem of ngmx
Justin A. Lemkul
jalemkul at vt.edu
Mon Apr 12 12:56:11 CEST 2010
kecy_wu at sina.com wrote:
> Hello, my configure line is ./configure --without-X --enable-mpi
> --enable-fortran --prefix=/mnt/soft/chemtec/gromacs4.0.5. I have been
> setted in the ~/.bashrc like this :
>
>
--without-X and --without-x are different things. Computers are literal. Watch
the output of ./configure to see if it complains about not finding X headers and
libraries instead of simply saying "disabled" (which you should get if you
./configure --without-x).
-Justin
>
> /export PATH=/opt/mpich2wgs/bin:$PATH:/share/apps/intel/fce/10.1.022/bin/
>
> /export CC=gcc
> export CXX=g++
> export CFLAGS="-03
> xport CXXFLAGS="-03 "
> export FFLAGS="-03 "/
>
> /export CPPFLAGS=-I/mnt/soft/chemtec/fftw3.2.1/include
> export LDFLAGS=-L/ mnt/soft/chemtec/fftw3.2.1/lib/
>
> /export F77=ifort/
>
> /export LD_LIBRARY_PATH=/opt/mpich2wgs/lib/:$LD_LIBRARY_PATH/
>
> the version of the gcc is 4.1.1.
>
> Thank you!
>
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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