Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 521 Dec 14th 2:51 pm
Edoapra

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undefined references in 6.1.1
Started By : Goranka
3 2971 Nov 22nd 3:17 am
Sacch
compiling 6.1.1
Started By : Zhdsheng
4 4668 Nov 20th 9:27 am
WillEverett
undefined reference to '_gfortran_copy_string'
Started By : Rwohlhueter
12 8661 Nov 16th 10:24 am
Edoapra
Compiling NWChem 6.1 on Rocks Cluster 6.0
Started By : Flo-lim
6 3197 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 6892 Oct 28th 10:35 pm
Andypea
segmentation fault--running small test case, compiled with gfortran
Started By : Dkanan
12 9403 Oct 15th 1:11 pm
Edoapra
Infiniband Install
Started By : Mef362
8 5982 Oct 5th 9:28 am
Mef362
CCSD(T) on SGI UV1000
Started By : Iwatasuehiro
1 2428 Oct 2nd 11:50 am
Edoapra
RPMS of Nwchem
Started By : Marcindulak
2 2363 Sep 28th 1:04 pm
Bert
compiling v6.1 for tcgmsg
Started By : Rwohlhueter
1 1554 Sep 10th 9:16 am
Edoapra
6.1.1 MPI build runs great, but only on 1 node1 2
Started By : Chemogan
24 22462 Aug 29th 9:34 am
Edoapra
Problelms compiling 6.1.1 on Cray XE6
Started By : Pdc
2 2212 Aug 22nd 3:48 am
Pdc
Problems compiling nwchem with openSUSE, gcc, openmpi
Started By : Jwkeller
12 8311 Aug 9th 2:34 pm
Bert
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6
Started By : DouDou
2 3523 Aug 1st 9:06 pm
DouDou
compiling nwchem with mpich2
Started By : Qjklw2012
3 3065 Jul 31st 9:55 am
Edoapra
Problems compiling nwchem with openSUSE, gcc, mpich
Started By : Qjklw2012
3 2462 Jul 30th 5:53 pm
Qjklw2012
simple installation fail
Started By : Schezel2000
2 3805 Jul 25th 4:03 pm
Schezel2000
NWChem 6.1.1 RedHat 5.4, Intel 11.1, OpenMPI 1.3.4
Started By : Colinbann
4 2668 Jul 20th 6:43 am
Colinbann
Must NWchem 6.1 be compiled from source for multi-proc parallel execution?
Started By : Jwkeller
1 1790 Jul 5th 10:06 am
Bert
Compiling NWChem With MKL
Started By : Aguilar853
1 1408 Jun 25th 11:55 am
Aguilar853
problem on armci-network protocol
Started By : Yjleedaniel
5 3434 Jun 15th 9:30 am
Bert
Compiling questions
Started By : Lmyiop
3 3521 May 30th 2:42 pm
Bert
Compiling with MPI under cygwin
Started By : Ivo
11 9914 May 16th 5:15 pm
Bert
CentOS 5.7, RHEL5.2 NWChem 6.1 64 bit will build ok, but crash when run causing seg violation
Started By : Fiu chemistry
4 3351 May 7th 8:59 am
Fiu chemistry
cygwin compilation issues
Started By : JimW
3 3269 Apr 12th 10:54 am
SergeL

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