Compiling NWChem

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Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
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Compiling questions
3 4292 May 30th 2:42 pm
Bert
Compiling with MPI under cygwin
11 13318 May 16th 5:15 pm
Bert
CentOS 5.7, RHEL5.2 NWChem 6.1 64 bit will build ok, but crash when run causing seg violation
4 4005 May 7th 8:59 am
Fiu chemistry
cygwin compilation issues
3 3743 Apr 12th 10:54 am
SergeL
Compiling with MVAPICH2 leads to undefined references
2 4881 Apr 9th 5:26 pm
Deburgess
Compiling with OpenFabrics interface
1 2573 Apr 9th 1:35 pm
Bert
(Help!) Compiling NWChem6.1 with ifort,icc,mpich2, and mkl library
6 4843 Mar 30th 3:23 pm
Bert
Compiling NWChem as a library
2 2095 Mar 16th 6:35 am
Logsdail
Building NWChem 6.1 with openmpi
2 2911 Feb 29th 6:33 pm
Bert
NWChem 6.1 linking problem
7 7055 Feb 18th 4:59 am
Marcindulak
NWChem 6.1 scalapack compilation fails
14 9171 Feb 17th 10:23 am
Edoapra
contrib/mov2asc contains binaries
1 2611 Feb 10th 11:17 am
Bert
contrib/python/Gnuplot.py incompatible with new pythons
2 4178 Feb 10th 12:42 am
Marcindulak
Linux workstation, MPI and QA tests
4 5890 Feb 9th 3:38 am
Ckoe
10 QA tests failed using downloaded binaries
3 2610 Feb 3rd 10:40 am
Niri
NWCHEM_Modules for plane wave only?
1 2179 Jan 31st 1:34 pm
Bert
Compiling with GotoBLAS2
7 5497 Jan 30th 3:04 pm
Guest -
code compilation
1 1986 Jan 25th 11:28 am
Bert
win32
5 8146 Dec 29th 9:15 am
Guest -
Compiling for MPI.
6 5980 Dec 28th 4:58 pm
Davis68
RPMS of NWchem
4 5546 Dec 21st 4:37 am
Marcindulak
MPI references not found
2 2254 Dec 2nd 5:13 pm
Bert
The Oct 2010 patch to nwchem-6.0 changes intermediate results after forming the initial gue
3 2518 Dec 1st 12:44 am
Guest -
Compiling Problems
4 2341 Nov 24th 10:05 am
Marcindulak
Help with non-standard MPI compiler
5 3677 Oct 27th 8:14 am
Guest -

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