Compiling NWChem

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Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean
0 1903 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1967 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5472 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
windows 10 64
Started By : P99
4 9 Oct 16th 11:33 am
P99
Failure to compile NWChem with MPICH on CentOS
Started By : Rangsiman
11 136 Sep 11th 10:31 pm
Rangsiman
QA kinda failing
Started By : Cchang
5 74 Sep 8th 11:30 am
Edoapra
How to uninstall NWChem from Mac?
Started By : Yipy0010
1 48 Sep 5th 3:44 pm
Edoapra
Error with pre-processing nwchem.F
Started By : Cchang
1 33 Sep 5th 10:11 am
Cchang
A request for help1 2
Started By : Jason York
18 988 Aug 20th 5:53 am
Dathan87
Post Deleted
Started By : Chiensh
0 57 Aug 17th 7:31 pm
Chiensh
Compilation Problems with Centos 7.3
Started By : Jgamez
2 248 Aug 13th 5:04 am
Marcindulak
win32
Started By : P99
15 148 Aug 4th 12:11 pm
P99
Using Tau Profiler with Intel fortran
Started By : Mmadrid
2 84 Jul 31st 2:09 pm
Mmadrid
Compilation on Mac OS X
Started By : Driesvr
8 483 Jul 26th 4:30 am
Mgreuter
undefined reference to `blacs_gridinfo
Started By : Adrianam
0 119 Jul 14th 10:31 am
Adrianam
Compile NWChem with Intel 2017 (MPI + MKL)
Started By : Cyberwolf
4 322 Jun 23rd 11:45 am
Cyberwolf
Problem with downloading patch HFmke.patch.gz
Started By : Swsides
1 151 May 22nd 2:25 pm
Edoapra
Building NWChem 6.6 without MPI
Started By : Swsides
0 178 May 11th 1:05 pm
Swsides
Undefined references for nwchem6.6 on ubuntu 16.04
Started By : Jhelfferich
2 302 Apr 25th 10:07 pm
Jhelfferich
NWChem 6.6 gfortran+MKL
Started By : Dishu1
0 211 Apr 15th 3:33 am
Dishu1
Compilation with OpenMPI
Started By : Chiensh
9 312 Apr 7th 11:10 am
Edoapra
nwchem not running in IBM ppc64 le
Started By : Tamalgoswami
0 164 Apr 3rd 6:41 am
Tamalgoswami
Improper compilation causes memory error during running nwchem
Started By : DanChQ
13 650 Mar 1st 3:02 am
DanChQ
Problem in running NWChem.
Started By : Bikash Patra
3 330 Feb 27th 11:03 am
Bikash Patra
MPI errors Centos 7.3
Started By : Deej
4 425 Feb 8th 12:25 pm
Deej
NWChem is successfully built on mac OS Sierra10.12.3 with GCC6.3.0 and mpich3.2_2.
Started By : Xiongyan21
0 421 Feb 2nd 4:06 am
Xiongyan21
How to recompile nwchem 6.6.
Started By : Bikash Patra
0 339 Jan 25th 1:04 am
Bikash Patra
compiling on centos~~ can't find Python.h
Started By : Zww9
10 763 Jan 18th 12:36 pm
Zww9

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