Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload Started By : Edoapra	0	2163	Dec 14th 1:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
MA fatal error: MA_sizeof: invalid datatype: 343597384693 Started By : Eenjoyzoo	5	2396	Dec 13th 6:55 pm Eenjoyzoo
NWchem 6.1 with CCSDTQ and CCSDTLR Started By : Marcinz	2	2834	Dec 10th 8:42 am Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2 Started By : Michael tn	16	10254	Dec 10th 8:21 am Jhammond
Linking NWChem against Intel's MKL Started By : DouDou	6	5657	Dec 10th 8:11 am Jhammond
Compilation error in CRAY XE6 with nwchem version 6.3 Started By : Jahir123	3	1279	Nov 22nd 2:03 am Jahir123
Depend.x file in compilation of software Started By : Ramadavidgroup	0	1047	Nov 13th 10:21 pm Ramadavidgroup
NWChem 6.5 and Intel Xeon Phis with intel 14.0.3 and intelmpi 4.1.3 Started By : Chrisn77	7	2539	Nov 12th 3:29 am Chrisn77
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation? Started By : Xiongyan21	1	1249	Nov 6th 6:33 pm Xiongyan21
compile with ifort, openmpi, ib Started By : Ysagon	2	2496	Oct 28th 7:19 am Ysagon
f77 and mpif77 is conflict - Not properly synchronize with make file Started By : Jaikumar	7	2321	Oct 24th 2:27 pm Edoapra
Are the patches already included in the source code or necessary to be installed? Started By : Xiongyan21	2	1520	Oct 17th 6:36 pm Xiongyan21
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5 Started By : Xiongyan21	3	1744	Oct 16th 7:57 am Xiongyan21
Cygwin not compiling - Nwchem-6.5.revision26243-src.2014-09-10 Started By : Nwchem username	5	2334	Sep 25th 12:27 pm Edoapra
compile nwchem-6.3 with mkl (blas e lapack) sequential Started By : Alfcanova	3	3078	Sep 24th 1:31 pm Gabe
Error message in compiling nwchem with mpi Started By : Cmjohns6	4	2999	Sep 24th 10:27 am Edoapra
building NWChem with Intel 14.0 and OpenMPI 1.6.5 Started By : Miahw	5	1594	Sep 23rd 2:04 pm Edoapra
NWChem failing to run on IB nodes Started By : Miahw	3	1607	Sep 23rd 7:56 am Edoapra
How to use ARMCI_NETWORK for NWChem 6.3 on SGI ICE X Started By : Frank d	13	4262	Sep 23rd 1:46 am Jhammond
Nwchem 6.5 and build_nwchem script. Started By : Rafapa	2	1416	Sep 22nd 6:24 am Ivo
Mingw32 compilation - attempt two Started By : P99	7	3856	Sep 20th 6:42 am P99
Issue with pspw using nwchem 6.3 on AMD Bulldozer -- bug in nwchem 6.3? Started By : Ohlincha	6	3069	Sep 16th 5:04 pm Ohlincha
Having Issue Compiling Nwchem 6.3 Started By : Neo	9	2284	Sep 13th 5:58 am Edoapra
Nwchem 6.3 checking whether a simple Fortran MPI program compiles... no Started By : Reoverstreet	5	5066	Sep 13th 5:49 am Edoapra
A bug in compiling nwchem 6.5 Started By : Hajiabadi	4	1412	Sep 11th 9:09 am Hajiabadi
GNU make 3.82 issue Started By : Kernelpanic	10	6178	Sep 9th 4:15 am Neo

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