New quantum dynamics mod. #77
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src/prg_quantumdynamics_mod.F90
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| call bml_convert_from_dense(matrix_type, a_dense, a, convert_threshold,asize) | ||
| !write(*,*)"thr,sparsity ",sparsity_threshold, bml_get_sparsity(a, sparsity_threshold) | ||
| call bml_convert_from_dense(matrix_type, a_dense, a, thresh,asize) | ||
| !write(*,*)"thr,sparsity ",thresh, bml_get_sparsity(a, thresh) |
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src/prg_quantumdynamics_mod.F90
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| call bml_convert_from_dense(matrix_type,a_dense,a,convert_threshold,asize) | ||
| !write(*,*)"thr,sparsity ", sparsity_threshold,bml_get_sparsity(a,sparsity_threshold) | ||
| call bml_convert_from_dense(matrix_type,a_dense,a,thresh,asize) | ||
| !write(*,*)"thr,sparsity ", thresh,bml_get_sparsity(a,thresh) |
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Thanks! |
src/prg_quantumdynamics_mod.F90
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| call bml_multiply(aux_bml,rho_bml,aux_1,1.0_dp,0.0_dp,thresh) | ||
| call bml_multiply(rho_bml,H,aux_bml,1.0_dp,0.0_dp,thresh) | ||
| call bml_multiply(aux_bml,sinv_bml,aux_1,-1.0_dp,1.0d0) | ||
| call bml_scale(dR,aux_1,aux_bml) |
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The compilation is failing here in this line. Ah, ok, sorry, that's my fault. I need to update the test environment with the new version of the bml. I'll re-run this test after I am done with that.
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The |
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@grindstaff1 CI is still failing here: http://logs.suse.provo.cloud/47/147/18/check/ardana-standard-vagrant-integration-test/2843815/logs/ansible.log. You should verify that the energy differences are ok and then update the reference. |
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Hi Nick, this might be caused by something else maybe at the bml level
cause we are only mdif a mod that is never being tested. Can we trigger a
build of the master branch to see if the ci fails?
On Aug 14, 2017 10:43, "Nicolas Bock" <[email protected]> wrote:
*@nicolasbock* requested changes on this pull request.
Please verify the energies of the failed CI test.
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Hi @cnegre, that's a good point. I have triggered a test of the master. Let's see if that passes or fails. I'll open an issue if it's not passing. |
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Please see #79 |
New qd mod without matrix redundant definitions.
Deleted commutate submodule.
Submitted with correct email (I believe.)
This change is