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Enabling the TEST program of CP2K.. converted corresponding inpt file

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svn-origin-rev: 4545
This commit is contained in:
Teodoro Laino 2006-01-23 13:23:28 +00:00
parent 5d7b6e7ab2
commit 11ae31daa5
3 changed files with 45 additions and 44 deletions
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6
src/input_cp2k.F
View file

@ -103,6 +103,10 @@ contains
CALL section_add_subsection(root_section,section,error=error)
CALL section_release(section,error=error)
CALL create_test_section(section,error=error)
CALL section_add_subsection(root_section,section,error=error)
CALL section_release(section,error=error)
CALL create_motion_section(section,error=error)
CALL section_add_subsection(root_section,section,error=error)
CALL section_release(section,error=error)
@ -538,7 +542,7 @@ contains
n_keywords=7, n_subsections=0, repeats=.FALSE., required=.true.,&
error=error)
nullify(keyword)
NULLIFY(keyword)
CALL keyword_create(keyword, name="memory",&
description="tries to allocate the given amount of memory ",&
usage="BLACS_GRID SQUARE",default_r_val=256.e6_dp, error=error)

67
src/library_tests.F
View file

@ -16,7 +16,6 @@
!! MODIFICATION HISTORY
!! 30-Nov-2000 (JGH) added input
!! 02-Jan-2001 (JGH) Parallel FFT
!! 15-Feb-2002 (JGH) XC-Functionals
!! 28-Feb-2002 (JGH) Clebsch-Gordon Coefficients
!! 06-Jun-2003 (JGH) Real space grid test
!! Eigensolver test (29.08.05,MK)
@ -123,44 +122,44 @@ CONTAINS
!! none
!!
!!*** *************************************************************************
SUBROUTINE lib_test ( globenv, error )
SUBROUTINE lib_test ( globenv, error )
TYPE(global_environment_type), pointer :: globenv
TYPE(cp_error_type), INTENT(INOUT) :: error
INTEGER :: iw
iw = globenv % scr
IF ( globenv % ionode ) THEN
WRITE ( iw, '(T2,79("*"))' )
WRITE ( iw, '(A,T31,A,T80,A)' ) ' *',' PERFORMANCE TESTS ','*'
WRITE ( iw, '(T2,79("*"))' )
END IF
!
CALL test_input ( globenv )
!
IF ( runtest ( 1 ) /= 0 ) CALL copy_test ( globenv )
!
IF ( runtest ( 2 ) /= 0 ) CALL matmul_test ( globenv )
!
IF ( runtest ( 3 ) /= 0 ) CALL fft_test ( globenv )
!
IF ( runtest ( 4 ) /= 0 ) CALL pw_fft_test ( globenv )
!
IF ( runtest ( 6 ) /= 0 ) CALL clebsch_gordon_test ( globenv )
!
IF ( runtest ( 7 ) /= 0 ) CALL rs_test ( globenv, error )
!
IF ( runtest ( 8 ) /= 0 ) CALL mpi_test ( globenv%group )
!
IF ( runtest ( 9 ) /= 0 ) CALL rng_test ( globenv )
!
IF (runtest(10) /= 0) THEN
CALL eigensolver_test(runtest(10),runtest(11),globenv,error)
END IF
iw = globenv % scr
IF ( globenv % ionode ) THEN
WRITE ( iw, '(T2,79("*"))' )
WRITE ( iw, '(A,T31,A,T80,A)' ) ' *',' PERFORMANCE TESTS ','*'
WRITE ( iw, '(T2,79("*"))' )
END IF
!
CALL test_input ( globenv )
!
IF ( runtest ( 1 ) /= 0 ) CALL copy_test ( globenv )
!
IF ( runtest ( 2 ) /= 0 ) CALL matmul_test ( globenv )
!
IF ( runtest ( 3 ) /= 0 ) CALL fft_test ( globenv )
!
IF ( runtest ( 4 ) /= 0 ) CALL pw_fft_test ( globenv )
!
IF ( runtest ( 6 ) /= 0 ) CALL clebsch_gordon_test ( globenv )
!
IF ( runtest ( 7 ) /= 0 ) CALL rs_test ( globenv, error )
!
IF ( runtest ( 8 ) /= 0 ) CALL mpi_test ( globenv%group )
!
IF ( runtest ( 9 ) /= 0 ) CALL rng_test ( globenv )
!
IF (runtest(10) /= 0) THEN
CALL eigensolver_test(runtest(10),runtest(11),globenv,error)
END IF
END SUBROUTINE lib_test
END SUBROUTINE lib_test
!******************************************************************************
!!****** library_tests/test_input [1.0] *
@ -175,7 +174,7 @@ END SUBROUTINE lib_test
!! JGH 30-NOV-2000
!!
!! MODIFICATION HISTORY
!! JGH (15-02-2002) Added functionals keyword
!!
!!
!! NOTES
!!I---------------------------------------------------------------------------I
@ -226,7 +225,7 @@ SUBROUTINE test_input ( globenv , error)
CALL section_vals_val_get(test_section,'fft',i_val=runtest ( 3 ),error=error )
CALL section_vals_val_get(test_section,'pw_fft',i_val=runtest ( 4 ),error=error )
CALL section_vals_val_get(test_section,'clebsch_gordon',i_val=runtest ( 6 ),error=error )
CALL section_vals_val_get(test_section,'rs_grid',i_val=runtest ( 7 ),error=error )
CALL section_vals_val_get(test_section,'rs_grids',i_val=runtest ( 7 ),error=error )
CALL section_vals_val_get(test_section,'mpi',i_val=runtest ( 8 ),error=error )
CALL section_vals_val_get(test_section,'rng',l_val=l_val,error=error )
if (l_val) runtest ( 9 )=1

16
tests/LIBTEST/input
View file

@ -1,17 +1,15 @@
&CP2K
&GLOBAL
PROGRAM TEST
IOLEVEL 10
FFTLIB FFTSG
&END
RUN_TYPE NONE
&END GLOBAL
&TEST
COPY 1
MATMUL 1
FFT 1
PW_FFT 1
FUNCTIONALS 1
Clebsch-Gordon 1
RS_GRID 1
Clebsch_Gordon 1
RS_GRIDS 1
MPI 6
RNG 1
EIGENSOLVER 400 100
@ -19,8 +17,8 @@
# generate a symmetric 400x400 matrix with random numbers and calculate
# only the first 100 eigenvalues/eigenvectors:
EIGENSOLVER 400 100
# EIGENSOLVER 400 100
# read a symmetric 400x400 matrix from the formatted file MATRIX and
# calculate the first 100 eigenvalues/eigenvectors:
EIGENSOLVER -400 100
# EIGENSOLVER -400 100