From NWChem
Viewed 764 times, With a total of 2 Posts
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Just Got Here
Threads 1
Posts 2
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| 4:29:30 AM PDT - Tue, Jun 14th 2016 |
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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!
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 9
Posts 1570
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| 9:34:07 AM PDT - Tue, Jun 14th 2016 |
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Full log
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Please post the full log of the following command
cd $NWCHEM_TOP/src
make FC=gfortran DEPEND_CC=gcc link
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Edited On 9:34:21 AM PDT - Tue, Jun 14th 2016 by Edoapra
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Just Got Here
Threads 1
Posts 2
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| 12:25:04 AM PDT - Thu, Jun 16th 2016 |
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Full log reply
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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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