Changeset 38d77eb for enysol_p.f
- Timestamp:
- 11/19/09 11:29:48 (14 years ago)
- Branches:
- master
- Children:
- 7137e5d
- Parents:
- 32289cd
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
enysol_p.f
r32289cd r38d77eb 159 159 numbox(j)=nboxj 160 160 if (nboxj.gt.mxbox) then 161 write(*,'(a)') 'enysol> bad mxboxe-2' 162 write(*,*) 'diagnostics ...' 163 write(*,*) 'atom ',j 164 write(*,*) 'position ',xat(j),yat(j),zat(j) 165 write(*,*) 'box indices ',mx,my,mz 166 write(*,*) 'resulting boxindex and limit ',nboxj,mxbox 161 write (logString, '(a)') 'enysol> bad mxboxe-2' 162 write (logString, *) 'diagnostics ...' 163 write (logString, *) 'atom ',j 164 write (logString, *) 'position ',xat(j),yat(j),zat(j) 165 write (logString, *) 'box indices ',mx,my,mz 166 write (logString, *) 'resulting boxindex and limit ',nboxj, 167 & mxbox 167 168 168 169 stop … … 195 196 if (myrank.eq.(no - 1)) iboxmax = ncbox 196 197 if (myrank.eq.-1) then 197 write ( *,*) 'enysol> Summary:', enysolct, ncbox, boxpp,198 & ndx, ndy, ndz198 write (logString, *) 'enysol> Summary:', enysolct, ncbox, 199 & boxpp, ndx, ndy, ndz 199 200 endif 200 201 do ibox = iboxmin + 1, iboxmax + 1 … … 333 334 call MPI_ALLREDUCE(eysl, eyslsum, 1, MPI_DOUBLE_PRECISION, 334 335 & MPI_SUM,my_mpi_comm, ierror) 335 ! write (*,*) 'enysol>', myrank, eysl, eyslsum336 ! write (logString, *) 'enysol>', myrank, eysl, eyslsum 336 337 tsurfres = surfres 337 338 call MPI_ALLREDUCE(tsurfres, surfres, mxrs, MPI_DOUBLE_PRECISION, … … 341 342 endwtime = MPI_Wtime() 342 343 if (myrank.le.-1) then 343 write ( *,*) 'enysol>',myrank,enysolct,344 write (logString, *) 'enysol>',myrank,enysolct, 344 345 & iboxmin + 1, iboxmax + 1, 345 346 & endwtime - startwtime, "s" … … 376 377 377 378 read(lin(1:5),'(i5)') npnt 378 ! write (*,'(a,i5)') 'the number of points---->',npnt379 ! write (logString, '(a,i5)') 'the number of points---->',npnt 379 380 380 381 ! Read the surface points
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