Compiling NWChem

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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 1966 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5470 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
Similar compilation problems NWChem-6.6
Started By : Proteindj
13 1840 Jan 22nd 8:36 am
Proteindj
int/Integer argument type mismatch inside peigs is causing segmentation fault
Started By : Bvoigt
6 785 Jan 21st 11:11 am
Bvoigt
configure: error: f2c string convention is neither after args nor after string
Started By : Ylniu
1 610 Jan 21st 10:29 am
Edoapra
Compilation problem with NWChem.
Started By : Abhay ms
0 545 Jan 19th 8:39 am
Abhay ms
nwchem-6.6 ifort, segmentation fault1 2
Started By : Sbbfifa
16 4737 Jan 13th 2:19 pm
Sbbfifa
NWchem-6.5 compilation: Segmentation fault
Started By : Anastasia.phys
4 1098 Jan 13th 3:17 am
Anastasia.phys
undefined symbols for architecture x86/64
Started By : LJ
2 754 Dec 31st 12:26 pm
LJ
NWChem 6.6/CentOS 7 compile fails
Started By : Jwkeller
14 2804 Dec 21st 9:50 pm
Frankenstein
Compiling NWChem 6.6 on openSUSE42.11 2
Started By : Frankenstein
16 2761 Dec 18th 1:12 pm
Frankenstein
compilation problem with nwchem-rev26871.2015-02-24
Started By : Jtravers
5 1720 Dec 9th 10:29 am
Edoapra
Compiling NWCHEM in a local university cluster
Started By : Rahulsng
3 1051 Dec 6th 7:32 am
YALDA88
Ga library for compiling nwchem 6.6
Started By : Nsapiens
2 719 Dec 2nd 3:46 am
Nsapiens
Linking problem with NWChem 6.6, Intel compilers and Infiniband
Started By : Valtandor
3 1074 Dec 1st 11:58 am
Valtandor
Problems in compiling NWChem
Started By : Alessandro.chiesa
14 1382 Nov 29th 8:25 am
Alessandro.chiesa
too many arguments error
Started By : LJ
8 2567 Nov 23rd 1:03 pm
Edoapra
Memory-related failures in QA
Started By : Cchang
1 699 Nov 12th 5:29 pm
Edoapra
NWchem6.6 on OpenSUSE compile fails: ld: cannot find -lga -larmci
Started By : Hhaoissp
2 1503 Nov 9th 7:18 pm
Hhaoissp
Patch to allow internal coordinates for icosahedral clusters
Started By : Hloupy.Honza
3 1539 Nov 5th 5:01 pm
Edoapra
NWChem 6.6 and 6.5 Can Be Compiled on MAC OS X EI Capitan 10.11
Started By : Xiongyan21
1 789 Oct 29th 11:13 pm
Xiongyan21
Add additional libraries in linking
Started By : Jtravers
7 1319 Oct 10th 11:07 am
Jtravers
VENUS/NWChem-6.5 compilation error
Started By : Misha
5 1340 Oct 8th 9:42 am
Edoapra
Compiling 6.5. Erorr
Started By : KAZat
15 1331 Oct 8th 9:41 am
Edoapra
Compiling NWChem in MAC
Started By : Rahulsng
4 658 Oct 3rd 3:14 pm
Rahulsng
Modification in xc_getv.F
Started By : Bob79
0 421 Oct 3rd 1:55 am
Bob79
Nwchem-6.6.revision27645-src.2015-09-30: problems building against external ga
Started By : Marcindulak
3 809 Oct 2nd 6:05 am
Marcindulak

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