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https://github.com/LCPQ/quantum_package
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Fixed 4 idx
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2ede44f483
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@ -185,9 +185,10 @@ subroutine four_index_transform_slave_work(map_a,matrix_B,LDB, &
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V2d(1,b_start), size(V2d,1) )
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deallocate(T2d)
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!$OMP FLUSH(n_running_threads)
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!$OMP PARALLEL DEFAULT(NONE) SHARED(a_array_ik,a_array_j,a_array_value, &
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!$OMP a_start,b_start,b_end,c_start,c_end,i_start,k_start,k_end, &
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!$OMP matrix_B,U,l,d,V2d,i_end,a_end) &
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!$OMP matrix_B,U,l,d,V2d,i_end,a_end,n_running_threads) &
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!$OMP PRIVATE(T,V,i,k,ik) NUM_THREADS(nproc-n_running_threads+1)
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allocate( V(i_start:i_end, k_start:k_end), T(k_start:k_end, a_start:a_end))
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!$OMP DO SCHEDULE(static,1)
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@ -251,25 +252,8 @@ subroutine four_index_transform_slave_work(map_a,matrix_B,LDB, &
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call four_idx_push_results(zmq_socket_push, key, value, idx, -task_id)
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deallocate(key,value)
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!WRITE OUTPUT
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! OMP CRITICAL
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!print *, d
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!do b=b_start,d
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! do c=c_start,c_end
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! do a=a_start,min(b,c)
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! if (dabs(U(a,c,b)) < 1.d-15) then
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! cycle
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! endif
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! write(10,*) d,c,b,a,U(a,c,b)
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! enddo
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! enddo
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!enddo
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! OMP END CRITICAL
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!END WRITE OUTPUT
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enddo
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!$OMP END DO
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!$OMP END DO NOWAIT
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deallocate(U)
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!$OMP ATOMIC
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