| Thread Title |
Replies |
Views |
Last Action |
NWCHEM_BASIS_LIBRARY not defined in bin/nwdef.csh
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4 |
7065 |
Sep 15th 9:01 pm
Guest - |
basis libraries in nwchem
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1 |
2799 |
Sep 2nd 3:11 pm
Bert |
Convergence of LR-CCSD calculation
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2 |
2169 |
Aug 23rd 11:24 am
Vvgobre |
NWPW Optimization Fail to Converge for a Tutorial Job
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3 |
3518 |
Aug 19th 4:56 pm
Guest - |
ARMCI issues while running
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3 |
2933 |
Aug 19th 3:21 pm
Bert |
Problem of running NWchem6.0
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1 |
2549 |
Aug 16th 4:55 pm
C00jsh00 |
Difficulties using the esp module
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2 |
2097 |
Aug 16th 9:39 am
Guest - |
ARMCI infiniband issues x86 intel
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4 |
5224 |
Aug 9th 12:27 pm
Ssk87 |
Breaking symmetry in DFT singlet state calculation
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7 |
4690 |
Jul 26th 6:09 am
Guest - |
Input file for GaAs geometry optimization
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10 |
5079 |
Jul 18th 2:28 pm
Bert |
NWChem over Gigabit Ethernet
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3 |
3298 |
Jul 18th 2:08 pm
Bert |
CDFT Jobs Failing After Running for Several Days
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1 |
3681 |
Jul 6th 5:19 pm
Bert |
Armci error 260 cond:0
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12 |
8643 |
Jul 6th 3:24 pm
Bert |
Welcome..
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2 |
2092 |
Jun 9th 3:46 pm
Marco.stenta |
Bad scalability for PW and CPMD calculation on a SGI machine & a benchmark input is needed
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0 |
2394 |
Jun 5th 7:15 pm
Chiensh |
ga_get2eri - cannot allocate buf error
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2 |
3598 |
May 17th 10:44 am
Guest - |
Molecule explodes when running quantum (Born-Oppenheimer) molecular dynamics in parallel
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0 |
2262 |
May 10th 12:05 pm
Diegoarmino |
Running NWCHEM on 2 processors
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0 |
2734 |
May 10th 6:45 am
Apacheco |
QA test fail on the current SVN development version
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1 |
2860 |
May 5th 1:30 pm
Bert |
mpirun makes NWChem run 2 or more independent processes
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2 |
3846 |
Apr 20th 3:43 am
Lumbrius |
sym_geom_project: sym_center_map is inconsistent with requested accuracy
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1 |
5236 |
Apr 14th 10:59 am
Bert |
Can't run in parallel with cc basis sets
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1 |
2271 |
Apr 7th 2:36 pm
Bert |
Running NWchem on CentOs
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5 |
2935 |
Apr 1st 12:16 pm
Bert |
Memory allocation
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6 |
6008 |
Apr 1st 12:05 pm
Bert |
WARNING:armci_set_mem_offset: offset changed 0 to -2097152
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0 |
3351 |
Mar 30th 10:03 pm
Rostov |