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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