Compiling NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	13620	Dec 14th 2:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
nwchem-6.3 compiling error with gcc 4.8.0 and mvapich2-1.9	2	2209	Aug 20th 5:36 pm Jtravers
unable to link LAPACK from intel mkl	2	5058	Aug 15th 8:37 pm Karteek
ipo: warning #11010: file format not recognized for /opt/intel/bin	2	4498	Aug 12th 11:26 am Jbaltrus
NWChem 6.3 with OpenMPI: configure error: f2c string convention	4	4390	Jul 22nd 8:57 am Jagode
problem installing NWChem6.1.1 w/Python	1	2070	Jul 17th 6:21 pm Edoapra
patches for nwchem-6.3	1	2281	Jul 16th 1:11 pm Edoapra
Problem with installing nwchem6.3 in fedora 14 : package couldn't found.	1	2238	Jul 10th 9:24 am Bert
6.3 openib build problems?	4	3695	Jul 9th 8:59 am Edoapra
6.3 openmpi/openib/intel build script?	3	1955	Jul 9th 8:34 am Huub
NWChem MD efficiency	0	2749	Jun 27th 7:33 pm Sacch
compiling without MPI	2	3750	Jun 27th 2:20 pm MHermes
NWChem-6.3 (2013-05-28) on SUSE Linux	5	4201	Jun 21st 9:19 pm Tz
MA fatal error: MA_sizeof: invalid datatype	2	4226	Jun 19th 7:37 pm Davis68
Gaussian orbital dft in Nwchem 6.3	2	1823	Jun 19th 5:30 pm Bert
Can NWChem be compiled usingc99?	2	1888	Jun 13th 9:45 am WillEverett
forrtl: severe (174): SIGSEGV, segmentation fault occurred	2	5815	Jun 2nd 1:37 pm Alfcanova
Problem with NWChem 6.3 and Qlogic	2	1802	May 29th 2:14 am Chemistza
Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1	11	20708	May 22nd 8:34 pm Ohlincha
Linking Problems when compiling NWChem 6.3	9	3148	May 22nd 5:41 pm DouDou
NWCHEM 6.3 with QLogic	1	1812	May 20th 9:25 am Edoapra
Compiling NWChem on mac laptop w/ lion	2	2369	May 16th 1:08 am Snazzybloke
Compiling NWCHEM in an IBM PPC64 running linux.	2	3085	May 9th 7:19 pm Sungeunbae
Build with openmp	4	3537	Apr 21st 8:21 am Mpayami
RedHat6.2	8	2432	Apr 11th 1:03 pm Mef362
Nwchem(any version) and NBO (5.9) linking	7	5622	Feb 25th 11:33 am Bert

Forum >> NWChem's corner >> Compiling NWChem

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