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| = BDF failed work with global array. = When I run BDF with global array support, I encounter such errors, 0:Segmentation Violation error, status=: 11 (rank:0 hostname:Sodium pid:22041):ARMCI DASSERT fail. src/common/signaltrap.c:SigSegvHandler():310 cond:0 1:Segmentation Violation error, status=: 11 (rank:1 hostname:Sodium pid:22042):ARMCI DASSERT fail. src/common/signaltrap.c:SigSegvHandler():310 cond:0 Last System Error Message from Task 0:: No such file or directory Last System Error Message from Task 1:: No such file or directory This may be caused by internal BLAS is used when I compile with GA, while I compile BDF program with external BLAS and Lapack library MKL. |
Filename for all kind of local orbitals in BDF: 1 localorb - local orbital generated by BDF module localmo. Boys and trust region methods are used in orbital localization. bflmo: Boys. tlmo: trust region. 2 flmoorb - fragment local orbital generated by bottom-up method. 3 pflmo - norm-orthogonal pFLMO. 4 |
Bingbing Suo is own page.
Wiki logs
1 Add Wiki theme moin-mandarin. Look at the link https://bitbucket.org/thesheep/moin-mandarin
2 Try to edit a bdftheme from modernized theme.
- Make a copy of the 'modern' theme in the static files directory and call it 'bdftheme'
- Copy the script of this theme MoinMoin/theme/modern.py' to data/plugins/theme/bdftheme.py
- Edit the file 'bdftheme.py' and change at least the variable name = "modernized" to {name ="bdftheme"
Filename for all kind of local orbitals in BDF: 1 localorb - local orbital generated by BDF module localmo. Boys and trust region methods are used in orbital localization. bflmo: Boys. tlmo: trust region. 2 flmoorb - fragment local orbital generated by bottom-up method. 3 pflmo - norm-orthogonal pFLMO. 4