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
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Compiling NWCHEM in an IBM PPC64 running linux.
2 3085 May 9th 7:19 pm
Sungeunbae
Build with openmp
4 3537 Apr 21st 8:21 am
Mpayami
RedHat6.2
8 2432 Apr 11th 1:03 pm
Mef362
Nwchem(any version) and NBO (5.9) linking
7 5622 Feb 25th 11:33 am
Bert
NBO 6.0
1 3867 Feb 19th 1:12 pm
Jwkeller
Torque
5 2661 Feb 9th 7:12 pm
Wjb0920
Linking Problems
5 3406 Feb 8th 11:23 am
Edoapra
Compiling on IBM P775
2 2551 Feb 6th 1:11 am
Lukas Demovic
ggg
5 2519 Feb 4th 8:40 pm
Wjb0920
Compiling with i4 instead of i8 on 64-bit machine
8 3605 Jan 18th 5:16 pm
Logsdail
MPI-parallel plane wave build
6 5110 Jan 10th 1:34 pm
Bert
parllel NWChem 6.1.1 vs Ubuntu 12.04
1 2961 Nov 28th 10:51 am
Huub
Compiling NWChem 6.1 on Ubuntu 12.04
2 2851 Nov 27th 10:51 pm
Flaregunhobo
Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc
12 5417 Nov 23rd 2:48 am
Sacch
undefined references in 6.1.1
3 3854 Nov 22nd 3:17 am
Sacch
compiling 6.1.1
4 5591 Nov 20th 9:27 am
WillEverett
undefined reference to '_gfortran_copy_string'
12 10692 Nov 16th 10:24 am
Edoapra
Compiling NWChem 6.1 on Rocks Cluster 6.0
6 3740 Nov 5th 10:59 am
Flo-lim
Building NWChem 6.1 with Intel 11.1 and Openmpi 1.6 on a IB cluster running CentOS 6.2
5 7668 Oct 28th 10:35 pm
Andypea
segmentation fault--running small test case, compiled with gfortran
12 10936 Oct 15th 1:11 pm
Edoapra
Infiniband Install
8 7652 Oct 5th 9:28 am
Mef362
CCSD(T) on SGI UV1000
1 2951 Oct 2nd 11:50 am
Edoapra
RPMS of Nwchem
2 2838 Sep 28th 1:04 pm
Bert
compiling v6.1 for tcgmsg
1 1943 Sep 10th 9:16 am
Edoapra
6.1.1 MPI build runs great, but only on 1 node1 2
24 28149 Aug 29th 9:34 am
Edoapra
Problelms compiling 6.1.1 on Cray XE6
2 2605 Aug 22nd 3:48 am
Pdc

Forum >> NWChem's corner >> Compiling NWChem
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