vzecca

Running test case xTB/regtest-4/H2O-32-xtb-ls-1.inp (and many others) dangling pointer this%row_max_epss is referenced at dbcsr_mm_multrec.F:534 in sparse_multrec use_eps=this%use_eps, row_max_epss=this%row_max_epss, & Target was RETURNed from procedure DBCSR_MM_MULTREC:DBCSR_MM_MULTREC_INIT

Running test case QS/regtest-almo-2/ion-pair.inp the undefined variable optimizer%neglect_threshold is referenced in file almo-scf-types.F at line 507: IF (optimizer%neglect_threshold .GT. 0.0_dp) THEN

Running test case QS/regtest-gpw-4/H2-geo-5.inp the variable b(1) is referenced undefined in file cp_lbfgs.F line 3779: b(1) = b(1)/t(1, 1) This happens at fifth time b(1) is referenced.

Inconsistent INTENT for nullified pointer DATA

1

In most test cases at dbcsr_array_types.F line 93 and 155 the pointer DATA is nullified. However in calling procedures the corresponding pointer is an INTENT(IN) formal argument. It is called...

Running cp2k test cases QS/regtest-gw/evGW_OH_PBE.inp and evGW_OH_PBE_svd.inp the dangling pointer matrix%col_i is dereferenced at dbcsr_block_access.F line 597 CALL merge_index_arrays(new_row_i, new_col_i, new_blk_p, nblks_new, & old_row_i, matrix%col_i, matrix%blk_p, nblks_old, & For first...

Running many test cases of cp2k, among them xTB/regtest-3/h2o_rtp.inp, in dbcsr_mm_multrec.F line 518 CALL dbcsr_mm_csr_multiply(this%csr, left, right, & ... use_eps=this%use_eps, row_max_epss=this%row_max_epss, & the dangling pointer this%row_max_epss is referenced. The pointer...