diff --git a/external/qp2-dependencies b/external/qp2-dependencies index 6e23ebac..ce14f57b 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit 6e23ebac001acae91d1c762ca934e09a9b7d614a +Subproject commit ce14f57b50511825a9fedb096749200779d3f4d4 diff --git a/src/determinants/h_apply.irp.f b/src/determinants/h_apply.irp.f index a67f71da..078c2104 100644 --- a/src/determinants/h_apply.irp.f +++ b/src/determinants/h_apply.irp.f @@ -70,11 +70,14 @@ subroutine resize_H_apply_buffer(new_size,iproc) PROVIDE H_apply_buffer_allocated - if (N_det < 0) call abort(irp_here//': N_det < 0') - if (N_int <= 0) call abort(irp_here//': N_int <= 0') - if (new_size <= 0) call abort(irp_here//': new_size <= 0') - if (iproc < 0) call abort(irp_here//': iproc < 0') - if (iproc >= nproc) call abort(irp_here//': iproc >= nproc') + ASSERT (new_size > 0) + ASSERT (iproc >= 0) + ASSERT (iproc < nproc) + if (N_det < 0) call abort() !irp_here//': N_det < 0') + if (N_int <= 0) call abort() !irp_here//': N_int <= 0') + if (new_size <= 0) call abort() !irp_here//': new_size <= 0') + if (iproc < 0) call abort() !irp_here//': iproc < 0') + if (iproc >= nproc) call abort() !irp_here//': iproc >= nproc') allocate ( buffer_det(N_int,2,new_size), & buffer_coef(new_size,N_states), & @@ -363,9 +366,9 @@ subroutine replace_wf(N_det_new, LDA, psi_coef_new, psi_det_new) PROVIDE H_apply_buffer_allocated - if (N_det_new <= 0) call abort(irp_here//': N_det_new <= 0') - if (N_int <= 0) call abort(irp_here//': N_int <= 0') - if (LDA < N_det_new) call abort(irp_here//': LDA < N_det_new') + if (N_det_new <= 0) call abort() !irp_here//': N_det_new <= 0') + if (N_int <= 0) call abort() !irp_here//': N_int <= 0') + if (LDA < N_det_new) call abort() !irp_here//': LDA < N_det_new') do j=0,nproc-1 H_apply_buffer(j)%N_det = 0