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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Thread Title	Replies	Views	Last Action
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

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