Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 275 Dec 14th 1:51 pm
Edoapra

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Compiling on IBM Power7
Started By : Lukas Demovic
0 475 Jun 10th 2:58 am
Lukas Demovic
Compiling NWChem with Intel 2016
Started By : Twk
6 1890 May 24th 5:19 am
Twk
compiling nwchem-6.6 with infiniband
Started By : Heisen
3 691 May 17th 10:54 am
Heisen
compiling NWChem 6.6 on Centos6
Started By : Douraku
2 707 May 16th 6:04 pm
Douraku
Compiling NWChem 6.6 (ubuntu 14.04)
Started By : Vladimir
8 2063 May 12th 7:52 pm
Vladimir
Compiling NWChem 6.6 Error INTEL 16.1 MKL and openmpi
Started By : Sahan
1 671 May 4th 8:11 am
Jemmyhu
Bug in Raman code: How to patch?
Started By : Alarcj
1 758 Apr 25th 10:48 am
Edoapra
Optimizing parallel performance on Xeon(R)
Started By : Maxjr
0 1029 Apr 5th 5:37 pm
Maxjr
compiling conflict
Started By : Rasmus
2 887 Mar 30th 4:48 am
Rasmus
MAC OS EI Capitan 10.11.4 with Xcode 7.3 Supports NWChem6.6
Started By : Xiongyan21
0 778 Mar 29th 2:25 am
Xiongyan21
Compiling nwchem-6.6 with mkl and openmpi
Started By : Robin1991
1 1486 Mar 17th 1:09 am
Robin1991
nwchem-6.6/src/config/nwchem_config.h: No such file or directory
Started By : Andrew.downs
0 973 Mar 7th 11:32 am
Andrew.downs
NWChem 6.6 compiling Library error
Started By : Misha
0 817 Feb 29th 6:14 am
Misha
Compiling VENUS/NWChem6.6 "undefined reference to"
Started By : Misha
0 863 Feb 19th 1:48 pm
Misha
Cuda compiling1 2
Started By : KAZat
21 3396 Feb 18th 12:23 am
KAZat
Windows 7 64-bit install
Started By : Craigwb
3 2157 Feb 15th 12:18 pm
Edoapra
Error: Function `GA_MPI_Comm_pgroup_default' implicitly converted to pointer at util_getppn.c:45
Started By : Mbanck
2 1312 Feb 15th 10:47 am
Edoapra
ld: cannot find -lpython2.7
Started By : Gwolosh
13 1922 Feb 3rd 4:40 am
Gwolosh
NWChem 6.6 and OS X El Capitan1 2
Started By : 58607
16 5130 Jan 25th 9:42 am
58607
Similar compilation problems NWChem-6.6
Started By : Proteindj
13 2183 Jan 22nd 7:36 am
Proteindj
int/Integer argument type mismatch inside peigs is causing segmentation fault
Started By : Bvoigt
6 971 Jan 21st 10:11 am
Bvoigt
configure: error: f2c string convention is neither after args nor after string
Started By : Ylniu
1 749 Jan 21st 9:29 am
Edoapra
Compilation problem with NWChem.
Started By : Abhay ms
0 616 Jan 19th 7:39 am
Abhay ms
nwchem-6.6 ifort, segmentation fault1 2
Started By : Sbbfifa
16 5674 Jan 13th 1:19 pm
Sbbfifa
NWchem-6.5 compilation: Segmentation fault
Started By : Anastasia.phys
4 1330 Jan 13th 2:17 am
Anastasia.phys

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