Compiling NWChem

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Thread Title	Replies	Views	Last Action
Building NWChem on cray failed	5	2576	Jan 15th 2:48 pm Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2	16	11294	Jan 2nd 3:44 pm Edoapra
Compile Nwchem 6.5 with Intel MPI	2	2903	Dec 31st 5:43 pm Extremis
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages	1	2195	Dec 23rd 11:16 am Edoapra
Compiling with MPICH	2	2349	Dec 23rd 11:14 am Edoapra
Compiling NWCHEM with Python 3.4	1	2224	Dec 23rd 11:07 am Edoapra
Build_nwchem script for MELLANOX	0	1698	Dec 20th 7:47 am Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693	5	2837	Dec 13th 7:55 pm Eenjoyzoo
NWchem 6.1 with CCSDTQ and CCSDTLR	2	3873	Dec 10th 9:42 am Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2	16	11828	Dec 10th 9:21 am Jhammond
Linking NWChem against Intel's MKL	6	6351	Dec 10th 9:11 am Jhammond
Compilation error in CRAY XE6 with nwchem version 6.3	3	1502	Nov 22nd 3:03 am Jahir123
Depend.x file in compilation of software	0	1378	Nov 13th 11:21 pm Ramadavidgroup
NWChem 6.5 and Intel Xeon Phis with intel 14.0.3 and intelmpi 4.1.3	7	2957	Nov 12th 4:29 am Chrisn77
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?	1	1530	Nov 6th 7:33 pm Xiongyan21
compile with ifort, openmpi, ib	2	2846	Oct 28th 8:19 am Ysagon
f77 and mpif77 is conflict - Not properly synchronize with make file	7	2736	Oct 24th 3:27 pm Edoapra
Are the patches already included in the source code or necessary to be installed?	2	1817	Oct 17th 7:36 pm Xiongyan21
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5	3	2108	Oct 16th 8:57 am Xiongyan21
Cygwin not compiling - Nwchem-6.5.revision26243-src.2014-09-10	5	2722	Sep 25th 1:27 pm Edoapra
compile nwchem-6.3 with mkl (blas e lapack) sequential	3	3785	Sep 24th 2:31 pm Gabe
Error message in compiling nwchem with mpi	4	3612	Sep 24th 11:27 am Edoapra
building NWChem with Intel 14.0 and OpenMPI 1.6.5	5	1802	Sep 23rd 3:04 pm Edoapra
NWChem failing to run on IB nodes	3	1989	Sep 23rd 8:56 am Edoapra
How to use ARMCI_NETWORK for NWChem 6.3 on SGI ICE X	13	4968	Sep 23rd 2:46 am Jhammond

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