Compiling NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
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Thread Title	Replies	Views	Last Action
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 -

Forum >> NWChem's corner >> Compiling NWChem

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