Compiling issue

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Forum >> NWChem's corner >> Compiling NWChem

Just Got Here
Threads 1
Posts 2
4:29:30 AM PDT - Tue, Jun 14th 2016
Hi. I've been following the procedure as quoted many times on here:

Suggested process to compile and run NWchem on Windows 8.1
1. Download NWchem from http://www.nwchem-sw.org/index.php/Download
2. Download MinGW from http://sourceforge.net/projects/mingw/files/ . Install the Basic Setup, and from All Packages, install pthreads-w32 as well as MSYS.
3. Download and install MPICH2 from http://www.mpich.org/static/tarballs/1.4.1p1/mpich2-1.4.1p1-win-ia32.msi .
4. Assuming your MinGW installation is in the C drive, go to C:/MinGW/msys/1.0 and open msys.bat. The first time you open this application, it will create a folder C:/MinGW/msys/1.0/home/<user_name>. Unpack the NWchem download inside this folder. If necessary, shorten the name of the NWchem folder to nwchem-6.6.
5. Cut and paste the MPICH2 folder also inside the folder C:/MinGW/msys/1.0/home/<user_name>.
6. Inside the msys console, enter the following command to add the path of MinGW to the PATH environment variable:

export PATH=/c/MinGW/bin:$PATH

7. Inside the msys console, enter the following commands

export NWCHEM_TOP=~/nwchem-6.6
export NWCHEM_TARGET=LINUX
export USE_MPI=yes
export MPI_LOC=~/MPICH2
export MPI_INCLUDE=$MPI_LOC/include
export MPI_LIB=$MPI_LOC/lib
export LIBMPI="-lfmpich2g -lmpi"
export NWCHEM_MODULES=all
export DEPEND_CC=gcc
export USE_INTERNALBLAS=y

cd $NWCHEM_TOP/src
make nwchem_config
make FC=gfortran DEPEND_CC=gcc


Everything runs fine until I get the error:

collect2.exe: error: ld returned 1 exit status
make: *** [all] Error 1


Any help would be most appreciated

Thanks!

Forum Vet
Threads 9
Posts 1570
9:34:07 AM PDT - Tue, Jun 14th 2016
Full log
Please post the full log of the following command

cd $NWCHEM_TOP/src

make FC=gfortran DEPEND_CC=gcc link
Edited On 9:34:21 AM PDT - Tue, Jun 14th 2016 by Edoapra

Just Got Here
Threads 1
Posts 2
12:25:04 AM PDT - Thu, Jun 16th 2016
Full log reply
Erm sorry stupid question but how do I generate the log in msys? I ran the command as suggested and it generated several hundred lines of code which finished with the same error as before (see above post).

Thanks.


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