Compiling NWChem

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Bug in Raman code
Started By : Sean
0 1909 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1977 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5481 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
Compiling NWChem on Cygwin1 2
Started By : P99
21 15373 Aug 4th 9:15 am
Noureddine
some patches do not apply cleanly against Nwchem-6.6.revision27746-src.2015-10-20
Started By : Marcindulak
1 503 Jul 22nd 8:57 am
Edoapra
NWChem 6.6 compiles but doesn't work on the new Fedora 24
Started By : LonelySpooky
2 970 Jul 19th 7:54 am
LonelySpooky
NWChem 6.6 Mac LinAlg error
Started By : Checksum
9 484 Jul 13th 1:09 pm
Checksum
compiling on ubuntu with python
Started By : RamanRamanRaman
3 383 Jun 21st 5:27 am
RamanRamanRaman
Compiling issue
Started By : Jtandy
2 409 Jun 16th 1:25 am
Jtandy
Compiling on IBM Power7
Started By : Lukas Demovic
0 388 Jun 10th 3:58 am
Lukas Demovic
Compiling NWChem with Intel 2016
Started By : Twk
6 1622 May 24th 6:19 am
Twk
compiling nwchem-6.6 with infiniband
Started By : Heisen
3 583 May 17th 11:54 am
Heisen
compiling NWChem 6.6 on Centos6
Started By : Douraku
2 562 May 16th 7:04 pm
Douraku
Compiling NWChem 6.6 (ubuntu 14.04)
Started By : Vladimir
8 1815 May 12th 8:52 pm
Vladimir
Compiling NWChem 6.6 Error INTEL 16.1 MKL and openmpi
Started By : Sahan
1 581 May 4th 9:11 am
Jemmyhu
Bug in Raman code: How to patch?
Started By : Alarcj
1 591 Apr 25th 11:48 am
Edoapra
Optimizing parallel performance on Xeon(R)
Started By : Maxjr
0 856 Apr 5th 6:37 pm
Maxjr
compiling conflict
Started By : Rasmus
2 679 Mar 30th 5:48 am
Rasmus
MAC OS EI Capitan 10.11.4 with Xcode 7.3 Supports NWChem6.6
Started By : Xiongyan21
0 665 Mar 29th 3:25 am
Xiongyan21
Compiling nwchem-6.6 with mkl and openmpi
Started By : Robin1991
1 1377 Mar 17th 2:09 am
Robin1991
nwchem-6.6/src/config/nwchem_config.h: No such file or directory
Started By : Andrew.downs
0 804 Mar 7th 12:32 pm
Andrew.downs
NWChem 6.6 compiling Library error
Started By : Misha
0 676 Feb 29th 7:14 am
Misha
Compiling VENUS/NWChem6.6 "undefined reference to"
Started By : Misha
0 765 Feb 19th 2:48 pm
Misha
Cuda compiling1 2
Started By : KAZat
21 2649 Feb 18th 1:23 am
KAZat
Windows 7 64-bit install
Started By : Craigwb
3 1676 Feb 15th 1:18 pm
Edoapra
Error: Function `GA_MPI_Comm_pgroup_default' implicitly converted to pointer at util_getppn.c:45
Started By : Mbanck
2 1099 Feb 15th 11:47 am
Edoapra
ld: cannot find -lpython2.7
Started By : Gwolosh
13 1561 Feb 3rd 5:40 am
Gwolosh
NWChem 6.6 and OS X El Capitan1 2
Started By : 58607
16 4377 Jan 25th 10:42 am
58607

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