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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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 28147 Aug 29th 9:34 am
Edoapra
Problelms compiling 6.1.1 on Cray XE6
2 2605 Aug 22nd 3:48 am
Pdc
Problems compiling nwchem with openSUSE, gcc, openmpi
12 10014 Aug 9th 2:34 pm
Bert
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6
2 4268 Aug 1st 9:06 pm
DouDou
compiling nwchem with mpich2
3 3590 Jul 31st 9:55 am
Edoapra
Problems compiling nwchem with openSUSE, gcc, mpich
3 3084 Jul 30th 5:53 pm
Qjklw2012
NWChem 6.1.1 RedHat 5.4, Intel 11.1, OpenMPI 1.3.4
4 3884 Jul 20th 6:43 am
Colinbann
Must NWchem 6.1 be compiled from source for multi-proc parallel execution?
1 2273 Jul 5th 10:06 am
Bert
Compiling NWChem With MKL
1 1771 Jun 25th 11:55 am
Aguilar853
problem on armci-network protocol
5 4034 Jun 15th 9:30 am
Bert
Compiling questions
3 4292 May 30th 2:42 pm
Bert
Compiling with MPI under cygwin
11 13318 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
4 4005 May 7th 8:59 am
Fiu chemistry
cygwin compilation issues
3 3743 Apr 12th 10:54 am
SergeL
Compiling with MVAPICH2 leads to undefined references
2 4881 Apr 9th 5:26 pm
Deburgess
Compiling with OpenFabrics interface
1 2573 Apr 9th 1:35 pm
Bert

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