Compiling NWChem

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NWChem 6.5 has been released
Started By : Karol
0 236 Sep 15th 10:02 am
Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting.
Started By : Bert
0 4660 Feb 2nd 6:13 pm
Bert

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Thread Title Replies Views Last Action
MPI-parallel plane wave build
Started By : Gabe
6 1340 Jan 10th 12:34 pm
Bert
Linking NWChem against Intel's MKL
Started By : DouDou
5 1782 Jan 4th 9:42 am
DouDou
parllel NWChem 6.1.1 vs Ubuntu 12.04
Started By : Clef
1 1402 Nov 28th 9:51 am
Huub
Compiling NWChem 6.1 on Ubuntu 12.04
Started By : Flaregunhobo
2 1221 Nov 27th 9:51 pm
Flaregunhobo
Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc
Started By : Sacch
12 2293 Nov 23rd 1:48 am
Sacch
undefined references in 6.1.1
Started By : Goranka
3 1200 Nov 22nd 2:17 am
Sacch
compiling 6.1.1
Started By : Zhdsheng
4 2555 Nov 20th 8:27 am
WillEverett
undefined reference to '_gfortran_copy_string'
Started By : Rwohlhueter
12 3307 Nov 16th 9:24 am
Edoapra
Compiling NWChem 6.1 on Rocks Cluster 6.0
Started By : Flo-lim
6 1699 Nov 5th 9:59 am
Flo-lim
Building NWChem 6.1 with Intel 11.1 and Openmpi 1.6 on a IB cluster running CentOS 6.2
Started By : Dauria
5 4072 Oct 28th 9:35 pm
Andypea
segmentation fault--running small test case, compiled with gfortran
Started By : Dkanan
12 4422 Oct 15th 12:11 pm
Edoapra
Infiniband Install
Started By : Mef362
8 2699 Oct 5th 8:28 am
Mef362
CCSD(T) on SGI UV1000
Started By : Iwatasuehiro
1 1259 Oct 2nd 10:50 am
Edoapra
RPMS of Nwchem
Started By : Marcindulak
2 1165 Sep 28th 12:04 pm
Bert
compiling v6.1 for tcgmsg
Started By : Rwohlhueter
1 903 Sep 10th 8:16 am
Edoapra
having some problems with 6.1.1 and qlogic openmpi
Started By : Michael tn
15 2124 Aug 30th 10:48 am
Michael tn
6.1.1 MPI build runs great, but only on 1 node1 2
Started By : Chemogan
24 10759 Aug 29th 8:34 am
Edoapra
Problelms compiling 6.1.1 on Cray XE6
Started By : Pdc
2 1349 Aug 22nd 2:48 am
Pdc
Problems compiling nwchem with openSUSE, gcc, openmpi
Started By : Jwkeller
12 3194 Aug 9th 1:34 pm
Bert
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6
Started By : DouDou
2 1664 Aug 1st 8:06 pm
DouDou
compiling nwchem with mpich2
Started By : Qjklw2012
3 1853 Jul 31st 8:55 am
Edoapra
Problems compiling nwchem with openSUSE, gcc, mpich
Started By : Qjklw2012
3 1190 Jul 30th 4:53 pm
Qjklw2012
simple installation fail
Started By : Schezel2000
2 1587 Jul 25th 3:03 pm
Schezel2000
NWChem 6.1.1 RedHat 5.4, Intel 11.1, OpenMPI 1.3.4
Started By : Colinbann
4 1333 Jul 20th 5:43 am
Colinbann
Must NWchem 6.1 be compiled from source for multi-proc parallel execution?
Started By : Jwkeller
1 896 Jul 5th 9:06 am
Bert

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