Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 175 Dec 14th 1:51 pm
Edoapra

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RedHat6.2
Started By : Mef362
8 1829 Apr 11th 12:03 pm
Mef362
Nwchem(any version) and NBO (5.9) linking
Started By : Roon
7 4436 Feb 25th 10:33 am
Bert
NBO 6.0
Started By : Jwkeller
1 2737 Feb 19th 12:12 pm
Jwkeller
Torque
Started By : Wjb0920
5 1967 Feb 9th 6:12 pm
Wjb0920
Linking Problems
Started By : CoolEsza
5 2631 Feb 8th 10:23 am
Edoapra
Compiling on IBM P775
Started By : Lukas Demovic
2 1939 Feb 6th 12:11 am
Lukas Demovic
ggg
Started By : Wjb0920
5 1940 Feb 4th 7:40 pm
Wjb0920
Compiling with i4 instead of i8 on 64-bit machine
Started By : Logsdail
8 2803 Jan 18th 4:16 pm
Logsdail
MPI-parallel plane wave build
Started By : Gabe
6 3592 Jan 10th 12:34 pm
Bert
parllel NWChem 6.1.1 vs Ubuntu 12.04
Started By : Clef
1 2250 Nov 28th 9:51 am
Huub
Compiling NWChem 6.1 on Ubuntu 12.04
Started By : Flaregunhobo
2 2286 Nov 27th 9:51 pm
Flaregunhobo
Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc
Started By : Sacch
12 4373 Nov 23rd 1:48 am
Sacch
undefined references in 6.1.1
Started By : Goranka
3 2812 Nov 22nd 2:17 am
Sacch
compiling 6.1.1
Started By : Zhdsheng
4 4554 Nov 20th 8:27 am
WillEverett
undefined reference to '_gfortran_copy_string'
Started By : Rwohlhueter
12 8409 Nov 16th 9:24 am
Edoapra
Compiling NWChem 6.1 on Rocks Cluster 6.0
Started By : Flo-lim
6 3102 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 6789 Oct 28th 9:35 pm
Andypea
segmentation fault--running small test case, compiled with gfortran
Started By : Dkanan
12 9181 Oct 15th 12:11 pm
Edoapra
Infiniband Install
Started By : Mef362
8 5795 Oct 5th 8:28 am
Mef362
CCSD(T) on SGI UV1000
Started By : Iwatasuehiro
1 2372 Oct 2nd 10:50 am
Edoapra
RPMS of Nwchem
Started By : Marcindulak
2 2245 Sep 28th 12:04 pm
Bert
compiling v6.1 for tcgmsg
Started By : Rwohlhueter
1 1506 Sep 10th 8:16 am
Edoapra
6.1.1 MPI build runs great, but only on 1 node1 2
Started By : Chemogan
24 21352 Aug 29th 8:34 am
Edoapra
Problelms compiling 6.1.1 on Cray XE6
Started By : Pdc
2 2179 Aug 22nd 2:48 am
Pdc
Problems compiling nwchem with openSUSE, gcc, openmpi
Started By : Jwkeller
12 8087 Aug 9th 1:34 pm
Bert

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