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lammps
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Eliminate gfortran -Wall warnings

This commit is contained in:
Karl Hammond 2022-10-30 16:42:10 -05:00
parent 87590ad339
commit 0aa20872ca
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1 changed files with 10 additions and 8 deletions
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18
fortran/lammps.f90
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@ -140,7 +140,7 @@ MODULE LIBLAMMPS
PROCEDURE :: find_fix_neighlist => lmp_find_fix_neighlist
PROCEDURE :: find_compute_neighlist => lmp_find_compute_neighlist
PROCEDURE :: neighlist_num_elements => lmp_neighlist_num_elements
PROCEDURE :: neighlist_element_neighbors => lmp_neighlist_num_elements
PROCEDURE :: neighlist_element_neighbors => lmp_neighlist_element_neighbors
PROCEDURE :: version => lmp_version
PROCEDURE, NOPASS :: get_os_info => lmp_get_os_info
PROCEDURE, NOPASS :: config_has_mpi_support => lmp_config_has_mpi_support
@ -985,7 +985,7 @@ CONTAINS
TYPE(lammps_data) :: global_data
INTEGER(c_int) :: datatype
TYPE(c_ptr) :: Cname, Cptr
INTEGER(c_size_t) :: length, i
INTEGER(c_size_t) :: length
! Determine vector length
! FIXME Is there a way to get the length of the vector from C rather
@ -1101,6 +1101,7 @@ CONTAINS
CALL lmp_error(self, LMP_ERROR_ALL + LMP_ERROR_WORLD, &
'per-atom property ' // name // 'not found in extract_setting')
CASE DEFAULT
error_msg = ''
WRITE(error_msg,'(A,I0,A)') 'return value ', datatype, &
' from lammps_extract_atom_datatype not known [Fortran/extract_atom]'
CALL lmp_error(self, LMP_ERROR_ALL + LMP_ERROR_WORLD, error_msg)
@ -1280,7 +1281,7 @@ CONTAINS
TYPE(lammps_variable_data) :: variable_data
TYPE(c_ptr) :: Cptr, Cname, Cgroup, Cveclength
INTEGER(c_size_t) :: length, i
INTEGER(c_size_t) :: length
INTEGER(c_int) :: datatype
REAL(c_double), POINTER :: double => NULL()
REAL(c_double), DIMENSION(:), POINTER :: double_vec => NULL()
@ -2106,7 +2107,7 @@ CONTAINS
! equivalent subroutine to lammps_get_gpu_device_info
SUBROUTINE lmp_get_gpu_device_info(buffer)
CHARACTER(LEN=*), INTENT(OUT) :: buffer
INTEGER(c_int) :: buf_size, i
INTEGER(c_int) :: buf_size
CHARACTER(LEN=1, KIND=c_char), DIMENSION(LEN(buffer)+1), TARGET :: Cbuffer
TYPE(c_ptr) :: Cptr
@ -2320,9 +2321,10 @@ CONTAINS
BIMGMAX = IMGMAX
BIMGBITS = IMGBITS
BIMG2BITS = IMG2BITS
flags(1) = IAND(image, BIMGMASK) - BIMGMAX
flags(2) = IAND(ISHFT(image, -BIMGBITS), BIMGMASK) - BIMGMAX
flags(3) = ISHFT(image, -BIMG2BITS) - BIMGMAX
flags(1) = INT(IAND(image, BIMGMASK) - BIMGMAX, KIND=c_int)
flags(2) = INT(IAND(ISHFT(image, -BIMGBITS), BIMGMASK) - BIMGMAX, &
KIND=c_int)
flags(3) = INT(ISHFT(image, -BIMG2BITS) - BIMGMAX, KIND=c_int)
ELSE
CALL lmp_error(self, LMP_ERROR_ALL + LMP_ERROR_WORLD, 'Incorrect&
& integer kind passed as "image" [Fortran/decode_image_flags]')
@ -2647,7 +2649,7 @@ CONTAINS
f_string = ''
RETURN
END IF
n = c_strlen(ptr) ! implicit conversion: c_size_t -> (default kind)
n = INT(c_strlen(ptr), KIND=KIND(n))
CALL C_F_POINTER(ptr, c_string, [n+1])
f_string = array2string(c_string, n)
END FUNCTION c2f_string