Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1093 Dec 14th 2:51 pm
Edoapra

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Compiling with MPI under cygwin
Started By : Ivo
11 10461 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
Started By : Fiu chemistry
4 3432 May 7th 8:59 am
Fiu chemistry
cygwin compilation issues
Started By : JimW
3 3318 Apr 12th 10:54 am
SergeL
Compiling with MVAPICH2 leads to undefined references
Started By : Deburgess
2 3858 Apr 9th 5:26 pm
Deburgess
Compiling with OpenFabrics interface
Started By : Deburgess
1 2196 Apr 9th 1:35 pm
Bert
(Help!) Compiling NWChem6.1 with ifort,icc,mpich2, and mkl library
Started By : Yjleedaniel
6 4253 Mar 30th 3:23 pm
Bert
Compiling NWChem as a library
Started By : Logsdail
2 1726 Mar 16th 6:35 am
Logsdail
Building NWChem 6.1 with openmpi
Started By : Ian gay
2 2529 Feb 29th 6:33 pm
Bert
NWChem 6.1 linking problem
Started By : Marcindulak
7 6289 Feb 18th 4:59 am
Marcindulak
NWChem 6.1 scalapack compilation fails
Started By : Guest -
14 7812 Feb 17th 10:23 am
Edoapra
contrib/mov2asc contains binaries
Started By : Marcindulak
1 2189 Feb 10th 11:17 am
Bert
contrib/python/Gnuplot.py incompatible with new pythons
Started By : Marcindulak
2 3694 Feb 10th 12:42 am
Marcindulak
Linux workstation, MPI and QA tests
Started By : Ckoe
4 5249 Feb 9th 3:38 am
Ckoe
10 QA tests failed using downloaded binaries
Started By : Mwykes
3 2181 Feb 3rd 10:40 am
Niri
NWCHEM_Modules for plane wave only?
Started By : Guest -
1 1818 Jan 31st 1:34 pm
Bert
Compiling with GotoBLAS2
Started By : Guest -
7 4816 Jan 30th 3:04 pm
Guest -
code compilation
Started By : Bmaiti
1 1663 Jan 25th 11:28 am
Bert
win32
Started By : Amnikitin
5 7551 Dec 29th 9:15 am
Guest -
Compiling for MPI.
Started By : Davis68
6 4757 Dec 28th 4:58 pm
Davis68
RPMS of NWchem
Started By : Marcindulak
4 4998 Dec 21st 4:37 am
Marcindulak
MPI references not found
Started By : Guest -
2 1928 Dec 2nd 5:13 pm
Bert
The Oct 2010 patch to nwchem-6.0 changes intermediate results after forming the initial gue
Started By : Guest -
3 2205 Dec 1st 12:44 am
Guest -
Compiling Problems
Started By : Aqua regia
4 1981 Nov 24th 10:05 am
Marcindulak
Help with non-standard MPI compiler
Started By : Guest -
5 3281 Oct 27th 8:14 am
Guest -
NwChem for Cygwin - legacy question
Started By : Timn
2 2271 Oct 1st 3:02 am
Guest -
NWChem install on Cray XD1?
Started By : Guest -
0 2030 Sep 26th 2:40 pm
Guest -

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