Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 997 Dec 14th 2:51 pm
Edoapra

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An attempt to run as root problem encounted by NWCHEM on Ubuntu17.10
Started By : Xiongyan21
1 265 Jan 11th 6:34 am
Xiongyan21
NWCHEM6.8 Has Been Successfully Built on macOS High Sierra with MPICH2 3.2.1
Started By : Xiongyan21
0 194 Jan 8th 8:33 pm
Xiongyan21
Compilation of NWCHEM6.8 Failed on macOS High Sierra with Openmpi 3.0.0_1
Started By : Xiongyan21
0 307 Jan 7th 8:06 pm
Xiongyan21
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
Started By : Den59
13 1292 Dec 27th 10:02 pm
Jhammond
Second Official Candidate Release of NWCHEM6.8 cannot be compiled on Ubuntu17.10
Started By : Xiongyan21
8 538 Dec 6th 6:15 am
Xiongyan21
Official Candidate Release of NWCHEM6.8 cannot be compiled on MAC
Started By : Xiongyan21
12 733 Nov 21st 9:47 pm
Xiongyan21
Compile only TCE part in NWChem
Started By : Kaunlao
1 247 Nov 3rd 12:11 pm
Edoapra
cosmoP.fh: No such file or directory
Started By : Azwaj11
1 274 Oct 26th 9:43 am
Edoapra
Failure to compile NWChem with MPICH on CentOS
Started By : Rangsiman
11 773 Sep 11th 10:31 pm
Rangsiman
QA kinda failing
Started By : Cchang
5 333 Sep 8th 11:30 am
Edoapra
How to uninstall NWChem from Mac?
Started By : Yipy0010
1 285 Sep 5th 3:44 pm
Edoapra
Error with pre-processing nwchem.F
Started By : Cchang
1 328 Sep 5th 10:11 am
Cchang
Post Deleted
Started By : Chiensh
0 215 Aug 17th 7:31 pm
Chiensh
Compilation Problems with Centos 7.3
Started By : Jgamez
2 527 Aug 13th 5:04 am
Marcindulak
win32
Started By : P99
15 537 Aug 4th 12:11 pm
P99
Using Tau Profiler with Intel fortran
Started By : Mmadrid
2 389 Jul 31st 2:09 pm
Mmadrid
Compilation on Mac OS X
Started By : Driesvr
8 1233 Jul 26th 4:30 am
Mgreuter
undefined reference to `blacs_gridinfo
Started By : Adrianam
0 523 Jul 14th 10:31 am
Adrianam
Compile NWChem with Intel 2017 (MPI + MKL)
Started By : Cyberwolf
4 1334 Jun 23rd 11:45 am
Cyberwolf
Problem with downloading patch HFmke.patch.gz
Started By : Swsides
1 527 May 22nd 2:25 pm
Edoapra
Building NWChem 6.6 without MPI
Started By : Swsides
0 395 May 11th 1:05 pm
Swsides
Undefined references for nwchem6.6 on ubuntu 16.04
Started By : Jhelfferich
2 694 Apr 25th 10:07 pm
Jhelfferich
NWChem 6.6 gfortran+MKL
Started By : Dishu1
0 414 Apr 15th 3:33 am
Dishu1
Compilation with OpenMPI
Started By : Chiensh
9 781 Apr 7th 11:10 am
Edoapra
nwchem not running in IBM ppc64 le
Started By : Tamalgoswami
0 379 Apr 3rd 6:41 am
Tamalgoswami
Improper compilation causes memory error during running nwchem
Started By : DanChQ
13 1376 Mar 1st 3:02 am
DanChQ

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