hdiff output

r29562/cycle2.f90 2015-12-04 10:30:11.621122062 +0000 r29561/cycle2.f90 2015-12-04 10:30:11.849125098 +0000
348:          CLOSE(LUNIT)348:          CLOSE(LUNIT)
349:          IF (NDUMMY.EQ.1) THEN349:          IF (NDUMMY.EQ.1) THEN
350:             PRINT '(3(A,I8))','cycle2> stationary point ',MINID(NEWJOB), &350:             PRINT '(3(A,I8))','cycle2> stationary point ',MINID(NEWJOB), &
351:   &                           ' process id ',PID(NEWJOB),' converged on cpu ',NEWJOB351:   &                           ' process id ',PID(NEWJOB),' converged on cpu ',NEWJOB
352:             !kr366> get frequency from frqs.dump352:             !kr366> get frequency from frqs.dump
353:             IF (GETMINFRQST) THEN353:             IF (GETMINFRQST) THEN
354:                OPEN(514,FILE='frqs.dump.'//TRIM(ADJUSTL(CONNSTR)),ACTION='READ',STATUS='OLD')354:                OPEN(514,FILE='frqs.dump.'//TRIM(ADJUSTL(CONNSTR)),ACTION='READ',STATUS='OLD')
355:                READ(514,*) MINFRQ 355:                READ(514,*) MINFRQ 
356:                WRITE(513,'(I8,F20.10)') MINID(NEWJOB) , MINFRQ356:                WRITE(513,'(I8,F20.10)') MINID(NEWJOB) , MINFRQ
357:                CLOSE(514)357:                CLOSE(514)
358:                PRINT '(A,I8)','cycle2> frequency calculated for minimum: ',MINID(NEWJOB)358:                CALL MYSYSTEM(STATUS,DEBUG,'rm frqs.dump.'//TRIM(ADJUSTL(CONNSTR)))
359:                CALL MYSYSTEM(STATUS,DEBUG,'rm frqs.dump.'//TRIM(ADJUSTL(CONNSTR))//' min.data.info.' & 
360:   &                    //TRIM(ADJUSTL(CONNSTR))//' OPTIM.checksp.'//TRIM(ADJUSTL(CONNSTR))//' convcheck.' & 
361:   &                    //TRIM(ADJUSTL(CONNSTR))//' start.'//TRIM(ADJUSTL(CONNSTR))//' odata.' & 
362:   &                    //TRIM(ADJUSTL(CONNSTR))) 
363:             ENDIF359:             ENDIF
364:             IF (GETTSFRQST) THEN360:             IF (GETTSFRQST) THEN
365:                OPEN(514,FILE='frqs.dump.'//TRIM(ADJUSTL(CONNSTR)),ACTION='READ',STATUS='OLD')361:                OPEN(514,FILE='frqs.dump.'//TRIM(ADJUSTL(CONNSTR)),ACTION='READ',STATUS='OLD')
366:                READ(514,*) MINFRQ362:                READ(514,*) MINFRQ
367:                WRITE(513,'(I8,F20.10)') MINID(NEWJOB) , MINFRQ363:                WRITE(513,'(I8,F20.10)') MINID(NEWJOB) , MINFRQ
368:                CLOSE(514)364:                CLOSE(514)
369:                PRINT '(A,I8)','cycle2> frequency calculated for minimum: ',MINID(NEWJOB)365:                CALL MYSYSTEM(STATUS,DEBUG,'rm frqs.dump.'//TRIM(ADJUSTL(CONNSTR)))
370:                CALL MYSYSTEM(STATUS,DEBUG,'rm frqs.dump.'//TRIM(ADJUSTL(CONNSTR))//' min.data.info.' & 
371:   &                    //TRIM(ADJUSTL(CONNSTR))//' OPTIM.checksp.'//TRIM(ADJUSTL(CONNSTR))//' convcheck.' & 
372:   &                    //TRIM(ADJUSTL(CONNSTR))//' start.'//TRIM(ADJUSTL(CONNSTR))//' odata.' & 
373:   &                    //TRIM(ADJUSTL(CONNSTR))) 
374:             ENDIF366:             ENDIF
375:          ELSE367:          ELSE
376:             PRINT '(3(A,I8))','cycle2> WARNING *** stationary point ',MINID(NEWJOB), &368:             PRINT '(3(A,I8))','cycle2> WARNING *** stationary point ',MINID(NEWJOB), &
377:   &                           ' process id ',PID(NEWJOB),' no CONVERGED message ',NEWJOB369:   &                           ' process id ',PID(NEWJOB),' no CONVERGED message ',NEWJOB
378:          ENDIF370:          ENDIF
379:       ELSE371:       ELSE
380:          PRINT '(3(A,I8))','cycle2> ERROR *** no OPTIM output file for stationary point ',MINID(NEWJOB), &372:          PRINT '(3(A,I8))','cycle2> ERROR *** no OPTIM output file for stationary point ',MINID(NEWJOB), &
381:   &                        ' process id ',PID(NEWJOB),' cpu ',NEWJOB373:   &                        ' process id ',PID(NEWJOB),' cpu ',NEWJOB
382:       ENDIF374:       ENDIF
383:       STATUS=-1375:       STATUS=-1


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hdiff - version: 2.1.0