Fixed warnings about unset intent-out

This commit is contained in:
Hans Pabst 2025-10-21 09:51:01 +02:00
parent 8e2f697c66
commit 2e13a6a37a
7 changed files with 15 additions and 14 deletions

View file

@ -239,11 +239,11 @@ CONTAINS
DEALLOCATE (forceunroll)
#else
pot_ace = 0.0
ace_force = 0
ace_virial = 0.0
MARK_USED(ace_natom)
MARK_USED(ace_atype)
MARK_USED(pot_ace)
MARK_USED(ace_force)
MARK_USED(ace_virial)
MARK_USED(fist_nonbond_env)
MARK_USED(cell)
MARK_USED(ace_data)

View file

@ -181,10 +181,10 @@ CONTAINS
model%symbolc(i) = symbolc(i)
END DO
#else
rcutc = 0
MARK_USED(ntypec)
MARK_USED(symbolc)
MARK_USED(fname)
MARK_USED(rcutc)
MARK_USED(model)
CPABORT("CP2K was compiled without ACE library.")
#endif

View file

@ -304,9 +304,9 @@ CONTAINS
CALL timestop(handle)
#else
eigenvalues = 0
MARK_USED(matrix)
MARK_USED(eigenvectors)
MARK_USED(eigenvalues)
CPABORT("CP2K compiled without the ELPA library.")
#endif

View file

@ -2030,7 +2030,7 @@ CONTAINS
CALL alloc_containers(store_3c(k_mem, i_mem), 1)
!contract witht KBK^T over the RI index and store
!contract with KBK^T over the RI index and store
CALL dbt_batched_contract_init(t_KBKT)
CALL dbt_contract(1.0_dp, t_KBKT, t_3c_ints, 0.0_dp, t_3c_work, &
contract_1=[2], notcontract_1=[1], &

View file

@ -292,8 +292,8 @@ CONTAINS
! size is product(mesh)
! the number of points in the reduced mesh
MARK_USED(grid_point)
MARK_USED(map)
grid_point = 0
map = 0
MARK_USED(mesh)
MARK_USED(is_shift)
MARK_USED(is_time_reversal)

View file

@ -537,11 +537,11 @@ CONTAINS
gto_basis_set%norm_type = 3
#else
occ = 0
MARK_USED(tb)
MARK_USED(gto_basis_set)
MARK_USED(element_symbol)
MARK_USED(param)
MARK_USED(occ)
CPABORT("Built without TBLITE")
#endif

View file

@ -526,10 +526,10 @@ CONTAINS
DEALLOCATE (content_f) ! Was allocated on the C side.
CALL timestop(handle)
#else
CPABORT("CP2K was compiled without Torch library.")
res = ""
MARK_USED(filename)
MARK_USED(key)
MARK_USED(res)
CPABORT("CP2K was compiled without Torch library.")
#endif
END FUNCTION torch_model_read_metadata
@ -611,8 +611,9 @@ CONTAINS
#:set typenames = ['int64', 'double', 'string']
#:set types_f = ['INTEGER(kind=int_8)', 'REAL(dp)', 'CHARACTER(LEN=default_string_length)']
#:set types_c = ['INTEGER(kind=C_INT64_T)', 'REAL(kind=C_DOUBLE)', 'CHARACTER(kind=C_CHAR), DIMENSION(*)']
#:set zeros_f = ['0', '0.0_dp', '""']
#:for typename, type_f, type_c in zip(typenames, types_f, types_c)
#:for typename, type_f, type_c, zero_f in zip(typenames, types_f, types_c, zeros_f)
! **************************************************************************************************
!> \brief Retrieves an attribute from a Torch model. Must be called before torch_model_freeze.
!> \author Ole Schuett
@ -638,10 +639,10 @@ CONTAINS
key=TRIM(key)//C_NULL_CHAR, &
dest=dest)
#else
CPABORT("CP2K compiled without the Torch library.")
dest = ${zero_f}$
MARK_USED(model)
MARK_USED(key)
MARK_USED(dest)
CPABORT("CP2K compiled without the Torch library.")
#endif
END SUBROUTINE torch_model_get_attr_${typename}$
#:endfor