Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 35 Dec 14th 1:51 pm
Edoapra
Bug in Raman code
Started By : Sean
0 2065 Feb 2nd 5:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 2189 Jan 28th 1:50 pm
Edoapra

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Thread Title Replies Views Last Action
NWChem 6.3 library containing MPI_Init no
Started By : Andrew
4 496 Aug 25th 8:28 am
Edoapra
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
Started By : Den59
12 881 Aug 24th 1:05 pm
Den59
NWChem 6.6: util_getppn.patch is already partly applied
Started By : Den59
1 432 Aug 23rd 8:02 am
Edoapra
NWChem 6.6 for BlueGene/Q
Started By : Chiensh
15 1566 Aug 10th 9:49 pm
Buchwj
NWChem 6.6 compilation fails on mac
Started By : Nevensky
5 525 Aug 8th 3:45 pm
Edoapra
Compiling NWChem on Cygwin1 2
Started By : P99
21 15905 Aug 4th 8:15 am
Noureddine
some patches do not apply cleanly against Nwchem-6.6.revision27746-src.2015-10-20
Started By : Marcindulak
1 595 Jul 22nd 7:57 am
Edoapra
NWChem 6.6 compiles but doesn't work on the new Fedora 24
Started By : LonelySpooky
2 1141 Jul 19th 6:54 am
LonelySpooky
NWChem 6.6 Mac LinAlg error
Started By : Checksum
9 543 Jul 13th 12:09 pm
Checksum
compiling on ubuntu with python
Started By : RamanRamanRaman
3 442 Jun 21st 4:27 am
RamanRamanRaman
Compiling issue
Started By : Jtandy
2 443 Jun 16th 12:25 am
Jtandy
Compiling on IBM Power7
Started By : Lukas Demovic
0 421 Jun 10th 2:58 am
Lukas Demovic
Compiling NWChem with Intel 2016
Started By : Twk
6 1734 May 24th 5:19 am
Twk
compiling nwchem-6.6 with infiniband
Started By : Heisen
3 627 May 17th 10:54 am
Heisen
compiling NWChem 6.6 on Centos6
Started By : Douraku
2 623 May 16th 6:04 pm
Douraku
Compiling NWChem 6.6 (ubuntu 14.04)
Started By : Vladimir
8 1929 May 12th 7:52 pm
Vladimir
Compiling NWChem 6.6 Error INTEL 16.1 MKL and openmpi
Started By : Sahan
1 622 May 4th 8:11 am
Jemmyhu
Bug in Raman code: How to patch?
Started By : Alarcj
1 668 Apr 25th 10:48 am
Edoapra
Optimizing parallel performance on Xeon(R)
Started By : Maxjr
0 934 Apr 5th 5:37 pm
Maxjr
compiling conflict
Started By : Rasmus
2 773 Mar 30th 4:48 am
Rasmus
MAC OS EI Capitan 10.11.4 with Xcode 7.3 Supports NWChem6.6
Started By : Xiongyan21
0 703 Mar 29th 2:25 am
Xiongyan21
Compiling nwchem-6.6 with mkl and openmpi
Started By : Robin1991
1 1425 Mar 17th 1:09 am
Robin1991
nwchem-6.6/src/config/nwchem_config.h: No such file or directory
Started By : Andrew.downs
0 889 Mar 7th 11:32 am
Andrew.downs
NWChem 6.6 compiling Library error
Started By : Misha
0 726 Feb 29th 6:14 am
Misha
Compiling VENUS/NWChem6.6 "undefined reference to"
Started By : Misha
0 812 Feb 19th 1:48 pm
Misha

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