From 11ae31daa503100b6af903509f04c2da5e172a6c Mon Sep 17 00:00:00 2001 From: Teodoro Laino Date: Mon, 23 Jan 2006 13:23:28 +0000 Subject: [PATCH] Enabling the TEST program of CP2K.. converted corresponding inpt file svn-origin-rev: 4545 --- src/input_cp2k.F | 6 +++- src/library_tests.F | 67 ++++++++++++++++++++++----------------------- tests/LIBTEST/input | 16 +++++------ 3 files changed, 45 insertions(+), 44 deletions(-) diff --git a/src/input_cp2k.F b/src/input_cp2k.F index 5556254394..cb79f33360 100644 --- a/src/input_cp2k.F +++ b/src/input_cp2k.F @@ -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) diff --git a/src/library_tests.F b/src/library_tests.F index b881eaf38b..4a14899056 100644 --- a/src/library_tests.F +++ b/src/library_tests.F @@ -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 diff --git a/tests/LIBTEST/input b/tests/LIBTEST/input index adea9e3fdc..3b783be318 100644 --- a/tests/LIBTEST/input +++ b/tests/LIBTEST/input @@ -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