Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 523 Dec 14th 2:51 pm
Edoapra

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compiling without MPI
Started By : MHermes
2 2923 Jun 27th 2:20 pm
MHermes
NWChem-6.3 (2013-05-28) on SUSE Linux
Started By : Tz
5 3409 Jun 21st 9:19 pm
Tz
MA fatal error: MA_sizeof: invalid datatype
Started By : Davis68
2 3326 Jun 19th 7:37 pm
Davis68
Gaussian orbital dft in Nwchem 6.3
Started By : Sm00469
2 1428 Jun 19th 5:30 pm
Bert
Can NWChem be compiled usingc99?
Started By : WillEverett
2 1501 Jun 13th 9:45 am
WillEverett
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Started By : Alfcanova
2 4497 Jun 2nd 1:37 pm
Alfcanova
Problem with NWChem 6.3 and Qlogic
Started By : Chemistza
2 1498 May 29th 2:14 am
Chemistza
Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1
Started By : Ohlincha
11 10668 May 22nd 8:34 pm
Ohlincha
Linking Problems when compiling NWChem 6.3
Started By : DouDou
9 2620 May 22nd 5:41 pm
DouDou
NWCHEM 6.3 with QLogic
Started By : Mef362
1 1407 May 20th 9:25 am
Edoapra
Compiling NWChem on mac laptop w/ lion
Started By : Rhall
2 2007 May 16th 1:08 am
Snazzybloke
Compiling NWCHEM in an IBM PPC64 running linux.
Started By : Obm
2 2481 May 9th 7:19 pm
Sungeunbae
Build with openmp
Started By : Mpayami
4 2684 Apr 21st 8:21 am
Mpayami
RedHat6.2
Started By : Mef362
8 1898 Apr 11th 1:03 pm
Mef362
Nwchem(any version) and NBO (5.9) linking
Started By : Roon
7 4570 Feb 25th 11:33 am
Bert
NBO 6.0
Started By : Jwkeller
1 2904 Feb 19th 1:12 pm
Jwkeller
Torque
Started By : Wjb0920
5 2087 Feb 9th 7:12 pm
Wjb0920
Linking Problems
Started By : CoolEsza
5 2739 Feb 8th 11:23 am
Edoapra
Compiling on IBM P775
Started By : Lukas Demovic
2 2005 Feb 6th 1:11 am
Lukas Demovic
ggg
Started By : Wjb0920
5 2027 Feb 4th 8:40 pm
Wjb0920
Compiling with i4 instead of i8 on 64-bit machine
Started By : Logsdail
8 2943 Jan 18th 5:16 pm
Logsdail
MPI-parallel plane wave build
Started By : Gabe
6 3792 Jan 10th 1:34 pm
Bert
parllel NWChem 6.1.1 vs Ubuntu 12.04
Started By : Clef
1 2380 Nov 28th 10:51 am
Huub
Compiling NWChem 6.1 on Ubuntu 12.04
Started By : Flaregunhobo
2 2362 Nov 27th 10:51 pm
Flaregunhobo
Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc
Started By : Sacch
12 4517 Nov 23rd 2:48 am
Sacch

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