Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1496 Dec 14th 2:51 pm
Edoapra

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Nwchem(any version) and NBO (5.9) linking
Started By : Roon
7 4864 Feb 25th 11:33 am
Bert
NBO 6.0
Started By : Jwkeller
1 3151 Feb 19th 1:12 pm
Jwkeller
Torque
Started By : Wjb0920
5 2229 Feb 9th 7:12 pm
Wjb0920
Linking Problems
Started By : CoolEsza
5 2899 Feb 8th 11:23 am
Edoapra
Compiling on IBM P775
Started By : Lukas Demovic
2 2115 Feb 6th 1:11 am
Lukas Demovic
ggg
Started By : Wjb0920
5 2132 Feb 4th 8:40 pm
Wjb0920
Compiling with i4 instead of i8 on 64-bit machine
Started By : Logsdail
8 3102 Jan 18th 5:16 pm
Logsdail
MPI-parallel plane wave build
Started By : Gabe
6 4086 Jan 10th 1:34 pm
Bert
parllel NWChem 6.1.1 vs Ubuntu 12.04
Started By : Clef
1 2487 Nov 28th 10:51 am
Huub
Compiling NWChem 6.1 on Ubuntu 12.04
Started By : Flaregunhobo
2 2473 Nov 27th 10:51 pm
Flaregunhobo
Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc
Started By : Sacch
12 4801 Nov 23rd 2:48 am
Sacch
undefined references in 6.1.1
Started By : Goranka
3 3179 Nov 22nd 3:17 am
Sacch
compiling 6.1.1
Started By : Zhdsheng
4 4936 Nov 20th 9:27 am
WillEverett
undefined reference to '_gfortran_copy_string'
Started By : Rwohlhueter
12 9234 Nov 16th 10:24 am
Edoapra
Compiling NWChem 6.1 on Rocks Cluster 6.0
Started By : Flo-lim
6 3356 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
Started By : Dauria
5 7159 Oct 28th 10:35 pm
Andypea
segmentation fault--running small test case, compiled with gfortran
Started By : Dkanan
12 9890 Oct 15th 1:11 pm
Edoapra
Infiniband Install
Started By : Mef362
8 6335 Oct 5th 9:28 am
Mef362
CCSD(T) on SGI UV1000
Started By : Iwatasuehiro
1 2538 Oct 2nd 11:50 am
Edoapra
RPMS of Nwchem
Started By : Marcindulak
2 2485 Sep 28th 1:04 pm
Bert
compiling v6.1 for tcgmsg
Started By : Rwohlhueter
1 1615 Sep 10th 9:16 am
Edoapra
6.1.1 MPI build runs great, but only on 1 node1 2
Started By : Chemogan
24 24036 Aug 29th 9:34 am
Edoapra
Problelms compiling 6.1.1 on Cray XE6
Started By : Pdc
2 2286 Aug 22nd 3:48 am
Pdc
Problems compiling nwchem with openSUSE, gcc, openmpi
Started By : Jwkeller
12 8721 Aug 9th 2:34 pm
Bert
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6
Started By : DouDou
2 3728 Aug 1st 9:06 pm
DouDou

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