Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1496 Dec 14th 2:51 pm
Edoapra

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Compile on BGQ
Started By : Shahabnaghavi
1 1451 Aug 29th 10:10 am
Edoapra
nwchem-6.3 compiling error with gcc 4.8.0 and mvapich2-1.9
Started By : Jtravers
2 1913 Aug 20th 5:36 pm
Jtravers
unable to link LAPACK from intel mkl
Started By : Karteek
2 3904 Aug 15th 8:37 pm
Karteek
ipo: warning #11010: file format not recognized for /opt/intel/bin
Started By : Jbaltrus
2 3601 Aug 12th 11:26 am
Jbaltrus
NWChem 6.3 with OpenMPI: configure error: f2c string convention
Started By : Jagode
4 3746 Jul 22nd 8:57 am
Jagode
problem installing NWChem6.1.1 w/Python
Started By : Smv
1 1816 Jul 17th 6:21 pm
Edoapra
patches for nwchem-6.3
Started By : Yangyue1209
1 1956 Jul 16th 1:11 pm
Edoapra
Problem with installing nwchem6.3 in fedora 14 : package couldn't found.
Started By : Shilpinwchem
1 1927 Jul 10th 9:24 am
Bert
6.3 openib build problems?
Started By : Michael tn
4 3210 Jul 9th 8:59 am
Edoapra
6.3 openmpi/openib/intel build script?
Started By : Michael tn
3 1576 Jul 9th 8:34 am
Huub
NWChem MD efficiency
Started By : Sacch
0 2213 Jun 27th 7:33 pm
Sacch
compiling without MPI
Started By : MHermes
2 3221 Jun 27th 2:20 pm
MHermes
NWChem-6.3 (2013-05-28) on SUSE Linux
Started By : Tz
5 3544 Jun 21st 9:19 pm
Tz
MA fatal error: MA_sizeof: invalid datatype
Started By : Davis68
2 3566 Jun 19th 7:37 pm
Davis68
Gaussian orbital dft in Nwchem 6.3
Started By : Sm00469
2 1486 Jun 19th 5:30 pm
Bert
Can NWChem be compiled usingc99?
Started By : WillEverett
2 1584 Jun 13th 9:45 am
WillEverett
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Started By : Alfcanova
2 4854 Jun 2nd 1:37 pm
Alfcanova
Problem with NWChem 6.3 and Qlogic
Started By : Chemistza
2 1551 May 29th 2:14 am
Chemistza
Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1
Started By : Ohlincha
11 12507 May 22nd 8:34 pm
Ohlincha
Linking Problems when compiling NWChem 6.3
Started By : DouDou
9 2808 May 22nd 5:41 pm
DouDou
NWCHEM 6.3 with QLogic
Started By : Mef362
1 1513 May 20th 9:25 am
Edoapra
Compiling NWChem on mac laptop w/ lion
Started By : Rhall
2 2070 May 16th 1:08 am
Snazzybloke
Compiling NWCHEM in an IBM PPC64 running linux.
Started By : Obm
2 2617 May 9th 7:19 pm
Sungeunbae
Build with openmp
Started By : Mpayami
4 2899 Apr 21st 8:21 am
Mpayami
RedHat6.2
Started By : Mef362
8 1981 Apr 11th 1:03 pm
Mef362

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