Compiling NWChem

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Announcement's	Replies	Views	Last Action
Sticky: Beta version of NWChem 6.6 available for download Started By : Edoapra	2	250	Sep 30th 10:14 am Edoapra
NWChem 6.5 has been released Started By : Karol	0	9010	Sep 15th 11:02 am Karol

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Thread Title	Replies	Views	Last Action
Intel Xeon Phi compilation error Started By : Masrul	6	1263	Jan 29th 11:52 pm Masrul
NWChem compilation in mixed cluster Started By : Masrul	1	841	Jan 24th 8:44 am Jhammond
Building NWChem on cray failed Started By : Sssmr	5	1090	Jan 15th 2:48 pm Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2 Started By : Statics	16	2816	Jan 2nd 3:44 pm Edoapra
Compile Nwchem 6.5 with Intel MPI Started By : Extremis	2	1129	Dec 31st 5:43 pm Extremis
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages Started By : Semmen	1	884	Dec 23rd 11:16 am Edoapra
Compiling with MPICH Started By : Semmen	2	836	Dec 23rd 11:14 am Edoapra
Compiling NWCHEM with Python 3.4 Started By : Semmen	1	880	Dec 23rd 11:07 am Edoapra
Build_nwchem script for MELLANOX Started By : Semmen	0	773	Dec 20th 7:47 am Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693 Started By : Eenjoyzoo	5	1140	Dec 13th 7:55 pm Eenjoyzoo
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2 Started By : Xiongyan21	26	3414	Dec 11th 2:10 am Xiongyan21
NWchem 6.1 with CCSDTQ and CCSDTLR Started By : Marcinz	2	1768	Dec 10th 9:42 am Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2 Started By : Michael tn	16	4837	Dec 10th 9:21 am Jhammond
Linking NWChem against Intel's MKL Started By : DouDou	6	2603	Dec 10th 9:11 am Jhammond
Failure to compile on MinGW with MSYS Started By : Covalent	1	478	Dec 8th 11:06 am Edoapra
Compilation error in CRAY XE6 with nwchem version 6.3 Started By : Jahir123	3	581	Nov 22nd 3:03 am Jahir123
Depend.x file in compilation of software Started By : Ramadavidgroup	0	372	Nov 13th 11:21 pm Ramadavidgroup
NWChem 6.5 and Intel Xeon Phis with intel 14.0.3 and intelmpi 4.1.3 Started By : Chrisn77	7	914	Nov 12th 4:29 am Chrisn77
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation? Started By : Xiongyan21	1	482	Nov 6th 7:33 pm Xiongyan21
compile with ifort, openmpi, ib Started By : Ysagon	2	852	Oct 28th 8:19 am Ysagon
f77 and mpif77 is conflict - Not properly synchronize with make file Started By : Jaikumar	7	820	Oct 24th 3:27 pm Edoapra
Are the patches already included in the source code or necessary to be installed? Started By : Xiongyan21	2	621	Oct 17th 7:36 pm Xiongyan21
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5 Started By : Xiongyan21	3	733	Oct 16th 8:57 am Xiongyan21
Cygwin not compiling - Nwchem-6.5.revision26243-src.2014-09-10 Started By : Nwchem username	5	815	Sep 25th 1:27 pm Edoapra
compile nwchem-6.3 with mkl (blas e lapack) sequential Started By : Alfcanova	3	1220	Sep 24th 2:31 pm Gabe

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