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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 4083 Jun 7th 3:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 6136 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
ARMCI issues while running
Started By : Ssk87
3 2813 Aug 19th 2:21 pm
Bert
Problem of running NWchem6.0
Started By : C00jsh00
1 2476 Aug 16th 3:55 pm
C00jsh00
Difficulties using the esp module
Started By : Guest -
2 2027 Aug 16th 8:39 am
Guest -
ARMCI infiniband issues x86 intel
Started By : Ssk87
4 5043 Aug 9th 11:27 am
Ssk87
Breaking symmetry in DFT singlet state calculation
Started By : Guest -
7 4512 Jul 26th 5:09 am
Guest -
Input file for GaAs geometry optimization
Started By : Guest -
10 4893 Jul 18th 1:28 pm
Bert
NWChem over Gigabit Ethernet
Started By : Guest -
3 3196 Jul 18th 1:08 pm
Bert
CDFT Jobs Failing After Running for Several Days
Started By : MCZoerb
1 3580 Jul 6th 4:19 pm
Bert
Armci error 260 cond:0
Started By : Annaj
12 8405 Jul 6th 2:24 pm
Bert
Welcome..
Started By : WikiSysop
2 2017 Jun 9th 2:46 pm
Marco.stenta
Bad scalability for PW and CPMD calculation on a SGI machine & a benchmark input is needed
Started By : Chiensh
0 2250 Jun 5th 6:15 pm
Chiensh
ga_get2eri - cannot allocate buf error
Started By : Guest -
2 3487 May 17th 9:44 am
Guest -
Molecule explodes when running quantum (Born-Oppenheimer) molecular dynamics in parallel
Started By : Diegoarmino
0 2138 May 10th 11:05 am
Diegoarmino
Running NWCHEM on 2 processors
Started By : Apacheco
0 2635 May 10th 5:45 am
Apacheco
QA test fail on the current SVN development version
Started By : Guest -
1 2769 May 5th 12:30 pm
Bert
mpirun makes NWChem run 2 or more independent processes
Started By : Lumbrius
2 3598 Apr 20th 2:43 am
Lumbrius
sym_geom_project: sym_center_map is inconsistent with requested accuracy
Started By : Xiongxiaogen
1 5117 Apr 14th 9:59 am
Bert
Can't run in parallel with cc basis sets
Started By : Guest -
1 2184 Apr 7th 1:36 pm
Bert
Running NWchem on CentOs
Started By : Ekauf
5 2847 Apr 1st 11:16 am
Bert
Memory allocation
Started By : Romaniz
6 5801 Apr 1st 11:05 am
Bert
WARNING:armci_set_mem_offset: offset changed 0 to -2097152
Started By : Rostov
0 3235 Mar 30th 9:03 pm
Rostov
TCE Restart
Started By : Guest -
0 1997 Mar 30th 1:42 am
Guest -
DFT SCF procedure
Started By : Guest -
2 10029 Mar 14th 11:41 am
Guest -
Free energy of a protein.
Started By : Guest -
2 2477 Mar 7th 9:19 pm
Guest -
MP2 on ROHF
Started By : GarciaFHI
1 2176 Mar 2nd 11:04 am
Bert

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