Compiling NWChem

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Locked Sticky: NWChem 7.0.0 available for dowload
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Building NWChem 6.1 with Intel 11.1 and Openmpi 1.6 on a IB cluster running CentOS 6.2
5 7667 Oct 28th 10:35 pm
Andypea
segmentation fault--running small test case, compiled with gfortran
12 10935 Oct 15th 1:11 pm
Edoapra
Infiniband Install
8 7651 Oct 5th 9:28 am
Mef362
CCSD(T) on SGI UV1000
1 2950 Oct 2nd 11:50 am
Edoapra
RPMS of Nwchem
2 2837 Sep 28th 1:04 pm
Bert
compiling v6.1 for tcgmsg
1 1942 Sep 10th 9:16 am
Edoapra
6.1.1 MPI build runs great, but only on 1 node1 2
24 28142 Aug 29th 9:34 am
Edoapra
Problelms compiling 6.1.1 on Cray XE6
2 2604 Aug 22nd 3:48 am
Pdc
Problems compiling nwchem with openSUSE, gcc, openmpi
12 10013 Aug 9th 2:34 pm
Bert
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6
2 4267 Aug 1st 9:06 pm
DouDou
compiling nwchem with mpich2
3 3589 Jul 31st 9:55 am
Edoapra
Problems compiling nwchem with openSUSE, gcc, mpich
3 3083 Jul 30th 5:53 pm
Qjklw2012
NWChem 6.1.1 RedHat 5.4, Intel 11.1, OpenMPI 1.3.4
4 3883 Jul 20th 6:43 am
Colinbann
Must NWchem 6.1 be compiled from source for multi-proc parallel execution?
1 2272 Jul 5th 10:06 am
Bert
Compiling NWChem With MKL
1 1770 Jun 25th 11:55 am
Aguilar853
problem on armci-network protocol
5 4033 Jun 15th 9:30 am
Bert
Compiling questions
3 4291 May 30th 2:42 pm
Bert
Compiling with MPI under cygwin
11 13317 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 4004 May 7th 8:59 am
Fiu chemistry
cygwin compilation issues
3 3742 Apr 12th 10:54 am
SergeL
Compiling with MVAPICH2 leads to undefined references
2 4880 Apr 9th 5:26 pm
Deburgess
Compiling with OpenFabrics interface
1 2572 Apr 9th 1:35 pm
Bert
(Help!) Compiling NWChem6.1 with ifort,icc,mpich2, and mkl library
6 4842 Mar 30th 3:23 pm
Bert
Compiling NWChem as a library
2 2094 Mar 16th 6:35 am
Logsdail
Building NWChem 6.1 with openmpi
2 2910 Feb 29th 6:33 pm
Bert

Forum >> NWChem's corner >> Compiling NWChem
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