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
MA fatal error: MA_sizeof: invalid datatype	2	4225	Jun 19th 7:37 pm Davis68
Gaussian orbital dft in Nwchem 6.3	2	1822	Jun 19th 5:30 pm Bert
Can NWChem be compiled usingc99?	2	1887	Jun 13th 9:45 am WillEverett
forrtl: severe (174): SIGSEGV, segmentation fault occurred	2	5814	Jun 2nd 1:37 pm Alfcanova
Problem with NWChem 6.3 and Qlogic	2	1801	May 29th 2:14 am Chemistza
Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1	11	20707	May 22nd 8:34 pm Ohlincha
Linking Problems when compiling NWChem 6.3	9	3147	May 22nd 5:41 pm DouDou
NWCHEM 6.3 with QLogic	1	1811	May 20th 9:25 am Edoapra
Compiling NWChem on mac laptop w/ lion	2	2368	May 16th 1:08 am Snazzybloke
Compiling NWCHEM in an IBM PPC64 running linux.	2	3084	May 9th 7:19 pm Sungeunbae
Build with openmp	4	3536	Apr 21st 8:21 am Mpayami
RedHat6.2	8	2431	Apr 11th 1:03 pm Mef362
Nwchem(any version) and NBO (5.9) linking	7	5621	Feb 25th 11:33 am Bert
NBO 6.0	1	3866	Feb 19th 1:12 pm Jwkeller
Torque	5	2660	Feb 9th 7:12 pm Wjb0920
Linking Problems	5	3405	Feb 8th 11:23 am Edoapra
Compiling on IBM P775	2	2550	Feb 6th 1:11 am Lukas Demovic
ggg	5	2518	Feb 4th 8:40 pm Wjb0920
Compiling with i4 instead of i8 on 64-bit machine	8	3604	Jan 18th 5:16 pm Logsdail
MPI-parallel plane wave build	6	5109	Jan 10th 1:34 pm Bert
parllel NWChem 6.1.1 vs Ubuntu 12.04	1	2960	Nov 28th 10:51 am Huub
Compiling NWChem 6.1 on Ubuntu 12.04	2	2850	Nov 27th 10:51 pm Flaregunhobo
Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc	12	5416	Nov 23rd 2:48 am Sacch
undefined references in 6.1.1	3	3853	Nov 22nd 3:17 am Sacch
compiling 6.1.1	4	5590	Nov 20th 9:27 am WillEverett
undefined reference to '_gfortran_copy_string'	12	10691	Nov 16th 10:24 am Edoapra

Forum >> NWChem's corner >> Compiling NWChem

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