all for using an OUTPUT_FILE_NAME when farming

svn-origin-rev: 9726

src/cp2k_runs.F

@@ -790,29 +790,34 @@ CONTAINS
        ! generate a fresh call to cp2k_run
        IF (new_rank == 0) THEN
 
-          ! generate the output file
-           WRITE(output_file,'(A12,I5.5)') "FARMING_OUT_",i
-           CALL parser_create(my_parser,file_name=TRIM(farming_env%Job(i)%input),error=error)
-           label="&GLOBAL"
-           CALL parser_search_string(my_parser,label,ignore_case=.TRUE.,found=found,error=error)
-           IF (found) THEN
-              CALL create_global_section(g_section,error=error)
-              CALL section_vals_create(g_data,g_section,error=error)
-              CALL cp_unit_set_create(default_units, "OUTPUT",error=error)
-              CALL section_vals_parse(g_data,my_parser,default_units,&
-                   error=error)
-              CALL cp_unit_set_release(default_units,error=error)
-              CALL section_vals_val_get(g_data,"PROJECT",&
-                   c_val=str, error=error)
-              IF (str.NE."") output_file=TRIM(str)//".out"
-              CALL section_vals_val_get(g_data,"OUTPUT_FILE_NAME",&
-                      c_val=str,error=error)
-              IF (str.NE."") output_file=str
-              CALL section_vals_release(g_data,error=error)
-              CALL section_release(g_section,error=error)
-           END IF
-           CALL parser_release(my_parser,error=error)
-           CALL open_file(file_name=TRIM(output_file),&
+          IF (farming_env%Job(i)%output=="") THEN
+             ! generate the output file
+             WRITE(output_file,'(A12,I5.5)') "FARMING_OUT_",i
+             CALL parser_create(my_parser,file_name=TRIM(farming_env%Job(i)%input),error=error)
+             label="&GLOBAL"
+             CALL parser_search_string(my_parser,label,ignore_case=.TRUE.,found=found,error=error)
+             IF (found) THEN
+                CALL create_global_section(g_section,error=error)
+                CALL section_vals_create(g_data,g_section,error=error)
+                CALL cp_unit_set_create(default_units, "OUTPUT",error=error)
+                CALL section_vals_parse(g_data,my_parser,default_units,&
+                     error=error)
+                CALL cp_unit_set_release(default_units,error=error)
+                CALL section_vals_val_get(g_data,"PROJECT",&
+                     c_val=str, error=error)
+                IF (str.NE."") output_file=TRIM(str)//".out"
+                CALL section_vals_val_get(g_data,"OUTPUT_FILE_NAME",&
+                        c_val=str,error=error)
+                IF (str.NE."") output_file=str
+                CALL section_vals_release(g_data,error=error)
+                CALL section_release(g_section,error=error)
+             END IF
+             CALL parser_release(my_parser,error=error)
+          ELSE
+             output_file=farming_env%Job(i)%output
+          ENDIF
+
+          CALL open_file(file_name=TRIM(output_file),&
                  file_action="WRITE",&
                  file_status="UNKNOWN",&
                  file_position="APPEND",&

src/farming_methods.F

@@ -182,6 +182,8 @@ CONTAINS
               keyword_name="DIRECTORY",c_val=farming_env%Job(i)%cwd,error=error)
          CALL section_vals_val_get(jobs_section,i_rep_section=i,&
               keyword_name="INPUT_FILE_NAME",c_val=farming_env%Job(i)%input,error=error)
+         CALL section_vals_val_get(jobs_section,i_rep_section=i,&
+              keyword_name="OUTPUT_FILE_NAME",c_val=farming_env%Job(i)%output,error=error)
 
          ! if job id is not specified the job id is the index
          CALL section_vals_val_get(jobs_section,i_rep_section=i,&

src/farming_types.F

@@ -21,6 +21,7 @@ MODULE farming_types
   TYPE job_type
        CHARACTER(LEN=default_path_length) :: cwd                   ! the directory to go to
        CHARACTER(LEN=default_path_length) :: input                 ! the input file to use
+       CHARACTER(LEN=default_path_length) :: output                ! the output file to use
        INTEGER                            :: ID                    ! the ID of this job
        INTEGER, POINTER, DIMENSION(:)     :: dependencies          ! the dependencies of this job
        INTEGER                            :: status ! pending,running,finished
@@ -85,6 +86,7 @@ ELEMENTAL SUBROUTINE init_job_type(job)
 
     job%cwd=""
     job%input=""
+    job%output=""
     job%ID=-1
     job%status=job_pending
     NULLIFY(job%dependencies)

src/input_cp2k.F

@@ -1547,11 +1547,18 @@ CONTAINS
 
     CALL keyword_create(keyword,name="INPUT_FILE_NAME",&
          description="the filename of the input file",&
-         usage="input_file my_input.inp",&
+         usage="INPUT_FILE_NAME my_input.inp",&
          required=.TRUE.,default_lc_val="input.inp",supported_feature=.TRUE.,error=error)
     CALL section_add_keyword(sub_section,keyword,error=error)
     CALL keyword_release(keyword,error=error)
 
+    CALL keyword_create(keyword,name="OUTPUT_FILE_NAME",&
+         description="the filename of the output file, if not specified will use the project name in the &GLOBAL section.",&
+         usage="OUTPUT_FILE_NAME my_input.inp",&
+         required=.FALSE.,default_lc_val="",supported_feature=.TRUE.,error=error)
+    CALL section_add_keyword(sub_section,keyword,error=error)
+    CALL keyword_release(keyword,error=error)
+
     CALL keyword_create(keyword,name="JOB_ID",&
          description="An ID used to indentify a job in DEPENDENCIES. "//&
          "JOB_IDs do not need to be unique, dependencies will be on all jobs with a given ID. "//&

tests/FARMING/regtest-1/TEST_FILES

@@ -11,3 +11,4 @@ farming-5.inp 0
 farming-6.inp 0
 farming-7.inp 0
 farming-8.inp 0
+farming-9.inp 0

tests/FARMING/regtest-1/farming-9.inp

@@ -0,0 +1,19 @@
+&GLOBAL
+  PROGRAM FARMING
+  RUN_TYPE NONE
+&END GLOBAL
+
+&FARMING
+  NGROUPS 2
+  &JOB
+    DIRECTORY dir-1
+    INPUT_FILE_NAME water.inp
+    OUTPUT_FILE_NAME foo.out
+  &END JOB
+  &JOB
+    DIRECTORY dir-2
+    INPUT_FILE_NAME water.inp
+    OUTPUT_FILE_NAME bar.out
+  &END JOB
+&END FARMING
+