[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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