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https://github.com/cp2k/cp2k.git
synced 2026-07-28 22:25:32 -04:00
Fixed warnings about unset intent-out
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8e2f697c66
commit
2e13a6a37a
7 changed files with 15 additions and 14 deletions
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@ -239,11 +239,11 @@ CONTAINS
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DEALLOCATE (forceunroll)
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#else
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pot_ace = 0.0
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ace_force = 0
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ace_virial = 0.0
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MARK_USED(ace_natom)
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MARK_USED(ace_atype)
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MARK_USED(pot_ace)
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MARK_USED(ace_force)
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MARK_USED(ace_virial)
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MARK_USED(fist_nonbond_env)
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MARK_USED(cell)
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MARK_USED(ace_data)
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@ -181,10 +181,10 @@ CONTAINS
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model%symbolc(i) = symbolc(i)
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END DO
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#else
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rcutc = 0
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MARK_USED(ntypec)
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MARK_USED(symbolc)
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MARK_USED(fname)
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MARK_USED(rcutc)
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MARK_USED(model)
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CPABORT("CP2K was compiled without ACE library.")
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#endif
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@ -304,9 +304,9 @@ CONTAINS
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CALL timestop(handle)
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#else
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eigenvalues = 0
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MARK_USED(matrix)
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MARK_USED(eigenvectors)
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MARK_USED(eigenvalues)
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CPABORT("CP2K compiled without the ELPA library.")
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#endif
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@ -2030,7 +2030,7 @@ CONTAINS
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CALL alloc_containers(store_3c(k_mem, i_mem), 1)
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!contract witht KBK^T over the RI index and store
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!contract with KBK^T over the RI index and store
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CALL dbt_batched_contract_init(t_KBKT)
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CALL dbt_contract(1.0_dp, t_KBKT, t_3c_ints, 0.0_dp, t_3c_work, &
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contract_1=[2], notcontract_1=[1], &
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@ -292,8 +292,8 @@ CONTAINS
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! size is product(mesh)
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! the number of points in the reduced mesh
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MARK_USED(grid_point)
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MARK_USED(map)
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grid_point = 0
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map = 0
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MARK_USED(mesh)
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MARK_USED(is_shift)
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MARK_USED(is_time_reversal)
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@ -537,11 +537,11 @@ CONTAINS
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gto_basis_set%norm_type = 3
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#else
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occ = 0
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MARK_USED(tb)
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MARK_USED(gto_basis_set)
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MARK_USED(element_symbol)
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MARK_USED(param)
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MARK_USED(occ)
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CPABORT("Built without TBLITE")
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#endif
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@ -526,10 +526,10 @@ CONTAINS
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DEALLOCATE (content_f) ! Was allocated on the C side.
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CALL timestop(handle)
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#else
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CPABORT("CP2K was compiled without Torch library.")
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res = ""
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MARK_USED(filename)
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MARK_USED(key)
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MARK_USED(res)
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CPABORT("CP2K was compiled without Torch library.")
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#endif
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END FUNCTION torch_model_read_metadata
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@ -611,8 +611,9 @@ CONTAINS
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#:set typenames = ['int64', 'double', 'string']
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#:set types_f = ['INTEGER(kind=int_8)', 'REAL(dp)', 'CHARACTER(LEN=default_string_length)']
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#:set types_c = ['INTEGER(kind=C_INT64_T)', 'REAL(kind=C_DOUBLE)', 'CHARACTER(kind=C_CHAR), DIMENSION(*)']
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#:set zeros_f = ['0', '0.0_dp', '""']
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#:for typename, type_f, type_c in zip(typenames, types_f, types_c)
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#:for typename, type_f, type_c, zero_f in zip(typenames, types_f, types_c, zeros_f)
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! **************************************************************************************************
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!> \brief Retrieves an attribute from a Torch model. Must be called before torch_model_freeze.
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!> \author Ole Schuett
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@ -638,10 +639,10 @@ CONTAINS
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key=TRIM(key)//C_NULL_CHAR, &
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dest=dest)
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#else
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CPABORT("CP2K compiled without the Torch library.")
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dest = ${zero_f}$
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MARK_USED(model)
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MARK_USED(key)
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MARK_USED(dest)
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CPABORT("CP2K compiled without the Torch library.")
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#endif
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END SUBROUTINE torch_model_get_attr_${typename}$
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#:endfor
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