Compiling NWChem

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NWChem 6.5 has been released
Started By : Karol
0 237 Sep 15th 10:02 am
Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting.
Started By : Bert
0 4661 Feb 2nd 6:13 pm
Bert

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Thread Title Replies Views Last Action
NWchem 6.1 with CCSDTQ and CCSDTLR
Started By : Marcinz
1 841 Jul 3rd 7:40 am
Bert
Compiling NWChem With MKL
Started By : Aguilar853
1 760 Jun 25th 10:55 am
Aguilar853
problem on armci-network protocol
Started By : Yjleedaniel
5 1799 Jun 15th 8:30 am
Bert
Compiling questions
Started By : Lmyiop
3 1788 May 30th 1:42 pm
Bert
Compiling with MPI under cygwin
Started By : Ivo
11 3693 May 16th 4:15 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 1912 May 7th 7:59 am
Fiu chemistry
cygwin compilation issues
Started By : JimW
3 1988 Apr 12th 9:54 am
SergeL
Compiling with MVAPICH2 leads to undefined references
Started By : Deburgess
2 1666 Apr 9th 4:26 pm
Deburgess
Compiling with OpenFabrics interface
Started By : Deburgess
1 1158 Apr 9th 12:35 pm
Bert
(Help!) Compiling NWChem6.1 with ifort,icc,mpich2, and mkl library
Started By : Yjleedaniel
6 2543 Mar 30th 2:23 pm
Bert
Compiling NWChem as a library
Started By : Logsdail
2 884 Mar 16th 5:35 am
Logsdail
Building NWChem 6.1 with openmpi
Started By : Ian gay
2 1694 Feb 29th 5:33 pm
Bert
NWChem 6.1 linking problem
Started By : Marcindulak
7 3665 Feb 18th 3:59 am
Marcindulak
NWChem 6.1 scalapack compilation fails
Started By : Guest -
14 3758 Feb 17th 9:23 am
Edoapra
contrib/mov2asc contains binaries
Started By : Marcindulak
1 1084 Feb 10th 10:17 am
Bert
contrib/python/Gnuplot.py incompatible with new pythons
Started By : Marcindulak
2 2625 Feb 9th 11:42 pm
Marcindulak
Linux workstation, MPI and QA tests
Started By : Ckoe
4 3116 Feb 9th 2:38 am
Ckoe
10 QA tests failed using downloaded binaries
Started By : Mwykes
3 1129 Feb 3rd 9:40 am
Niri
NWCHEM_Modules for plane wave only?
Started By : Guest -
1 937 Jan 31st 12:34 pm
Bert
Compiling with GotoBLAS2
Started By : Guest -
7 2828 Jan 30th 2:04 pm
Guest -
code compilation
Started By : Bmaiti
1 930 Jan 25th 10:28 am
Bert
win32
Started By : Amnikitin
5 3949 Dec 29th 8:15 am
Guest -
Compiling for MPI.
Started By : Davis68
6 2292 Dec 28th 3:58 pm
Davis68
RPMS of NWchem
Started By : Marcindulak
4 2887 Dec 21st 3:37 am
Marcindulak
MPI references not found
Started By : Guest -
2 1109 Dec 2nd 4:13 pm
Bert

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