[e40e335] | 1 | ! *********************************************************************
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| 2 | ! This file contains distributeWorkLoad, fileNameMP
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| 3 | !
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| 4 | ! Copyright 2007 Frank Eisenmenger, U.H.E. Hansmann,
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| 5 | ! Jan H. Meinke, Sandipan Mohanty
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| 6 | !
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| 7 | ! *********************************************************************
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| 8 |
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[3fbbfbb] | 9 | !> Calculate the best way to distribute the work load across processors.
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| 10 | !! It calculates the average number of interactions and then tries to
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| 11 | !! assign a number of interactions to each processor that is as close
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| 12 | !! as possible to the average. The routine should be called once for
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| 13 | !! every molecule in the system.
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| 14 | !!
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| 15 | !! @param num_ppr Number of processors per replica
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| 16 | !! @param nml index of molecule or zero.
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| 17 | !!
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| 18 | !! @author Jan H. Meinke
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| 19 | !<
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[e40e335] | 20 | subroutine distributeWorkLoad(num_ppr,nml)
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| 21 |
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| 22 | include 'INCL.H'
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| 23 |
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[32289cd] | 24 | integer i1ms, io, iv, i2ms, ms
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| 25 |
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[e40e335] | 26 | integer num_ppr, nml
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| 27 | integer idxOfFirstVariable, idxOfLastVariable
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| 28 | integer at, atct, ivw, i, j, isum, i14
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| 29 | integer totalct, irank, itarget
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| 30 | double precision ipps
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[32289cd] | 31 |
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[e40e335] | 32 | if (nml.eq.0) then
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| 33 | idxOfFirstVariable = ivrml1(1)
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| 34 | idxOfLastVariable = ivrml1(ntlml) + nvrml(ntlml) -1
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| 35 | i1ms = imsml1(ntlml)+ nmsml(ntlml)
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| 36 | do i = 0, MAX_PROC
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| 37 | do j = 1, mxml
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| 38 | workPerProcessor(j, i) = 0
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| 39 | end do
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| 40 | end do
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[32289cd] | 41 | else
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[e40e335] | 42 | idxOfFirstVariable = ivrml1(nml)
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| 43 | idxOfLastVariable = ivrml1(nml) + nvrml(nml) - 1
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| 44 | i1ms = imsml1(nml)+ nmsml(nml)
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| 45 | do i = 0, MAX_PROC
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| 46 | workPerProcessor(nml, i) = 0
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| 47 | end do
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| 48 | end if
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[32289cd] | 49 |
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[e40e335] | 50 | isum = 0
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| 51 | do io = idxOfLastVariable, idxOfFirstVariable, - 1
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| 52 | iv = iorvr(io)
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| 53 | i2ms = i1ms - 1
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| 54 | i1ms = imsvr1(iv)
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| 55 | do ms = i1ms, i2ms
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| 56 | do at = latms1(ms), latms2(ms)
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[32289cd] | 57 | do ivw=ivwat1(at),ivwat2(at)
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[e40e335] | 58 | do j=lvwat1(ivw),lvwat2(ivw)
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| 59 | isum = isum + 1
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| 60 | end do
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| 61 | end do
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[32289cd] | 62 | do i14=i14at1(at),i14at2(at)
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[e40e335] | 63 | isum = isum + 1
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| 64 | end do
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| 65 | end do
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| 66 | end do
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| 67 | end do
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| 68 | ipps = isum / num_ppr
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[38d77eb] | 69 | write (logString, *) "Total number of interactions:", isum
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| 70 | write (logString, *) "Average # of interactions per processor",
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| 71 | & ipps
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[32289cd] | 72 |
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[e40e335] | 73 | totalct = 0
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| 74 | irank = 1
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| 75 | itarget = int(irank * ipps)
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| 76 | if (nml.eq.0) then
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| 77 | i1ms = imsml1(ntlml)+ nmsml(ntlml)
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[32289cd] | 78 | else
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[e40e335] | 79 | i1ms = imsml1(nml)+ nmsml(nml)
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| 80 | end if
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| 81 | do io = idxOfLastVariable, idxOfFirstVariable, - 1
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[32289cd] | 82 | isum = 0
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[e40e335] | 83 | iv = iorvr(io)
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| 84 | i2ms = i1ms - 1
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| 85 | i1ms = imsvr1(iv)
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| 86 | do ms = i1ms, i2ms
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| 87 | do at = latms1(ms), latms2(ms)
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| 88 | atct = atct + 1
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[32289cd] | 89 | do ivw=ivwat1(at),ivwat2(at)
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[e40e335] | 90 | do j=lvwat1(ivw),lvwat2(ivw)
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| 91 | isum = isum + 1
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| 92 | end do
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| 93 | end do
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[32289cd] | 94 | do i14=i14at1(at),i14at2(at)
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[e40e335] | 95 | isum = isum + 1
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| 96 | end do
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| 97 | end do
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| 98 | end do
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| 99 | if ((totalct + isum).gt.itarget) then
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| 100 | if((.not.irank.eq.num_ppr)
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| 101 | & .and.
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| 102 | & (abs(totalct-itarget)
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| 103 | & .lt.abs(totalct + isum - itarget))) then
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| 104 | workPerProcessor(nml, irank) = io + 1
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[38d77eb] | 105 | ! write (logString, *) io + 1, totalct, itarget
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[e40e335] | 106 | else
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| 107 | workPerProcessor(nml, irank) = io
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[38d77eb] | 108 | ! write (logString, *) io, totalct + isum, itarget
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[e40e335] | 109 | end if
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| 110 | irank = irank + 1
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| 111 | itarget = int(irank * ipps)
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| 112 | end if
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| 113 | totalct = totalct + isum
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| 114 | end do
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| 115 | workPerProcessor(nml, 0) = idxOfLastVariable + 1
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| 116 | workPerProcessor(nml, num_ppr) = ivrml1(nml)
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| 117 |
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| 118 | end subroutine distributeWorkLoad
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[32289cd] | 119 |
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[3fbbfbb] | 120 | !>
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| 121 | !! The function fileNameMP takes a template of a file name in the
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| 122 | !! variable base. The position of the first and last character that
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| 123 | !! may be replaced by rank in the string are given in i1 (first) and
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| 124 | !! i2 (last).
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| 125 | !! The function returns an empty string if the rank would need more
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| 126 | !! characters than is allowed by the template.
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| 127 | !! For example,
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| 128 | !! \code
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| 129 | !! rank = 11
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| 130 | !! fileName = fileNameMP('base_0000.dat', 6, 9, rank)
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| 131 | !! write (logString, *), fileName
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| 132 | !! \endcode
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| 133 | !! will output base_0011.dat.
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| 134 | !!
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| 135 | !! @param base the base file name, e.g., base_0000.dat.
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| 136 | !! @param i1 index of the first character that may be replaced
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| 137 | !! @param i2 index of the last character that may be replaced
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| 138 | !! @param rank the number that should be inserted into the file name.
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| 139 | !!
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| 140 | !! @return file name for rank
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| 141 | !<
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[e40e335] | 142 | character*80 function fileNameMP(base, i1, i2, rank)
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| 143 |
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| 144 | character*(*) base
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[bd2278d] | 145 | ! i1, i2: Index of first and last character that can be replaced
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| 146 | ! rank: rank of node
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[e40e335] | 147 | integer i1, i2, rank
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| 148 |
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| 149 | fileNameMP = base
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| 150 | if ((i2 - i1 + 1).le.log10(1.0 * rank)) then
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| 151 | print *,'too few characters available to label '
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| 152 | print *,'filenames with rank = ',rank
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| 153 | stop
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| 154 | endif
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| 155 |
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[bd2278d] | 156 | ! TODO: Allow arbitrary rank
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[e40e335] | 157 |
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| 158 | if (rank.lt.10) then
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| 159 | write(fileNameMP(i2:i2), '(i1)') rank
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| 160 | elseif (rank.lt.100) then
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| 161 | write(fileNameMP(i2-1:i2), '(i2)') rank
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| 162 | elseif (rank.lt.1000) then
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| 163 | write(fileNameMP(i2-2:i2), '(i3)') rank
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| 164 | elseif (rank.lt.10000) then
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| 165 | write(fileNameMP(i2-3:i2), '(i4)') rank
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| 166 | elseif (rank.lt.100000) then
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| 167 | write(fileNameMP(i2-4:i2), '(i5)') rank
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| 168 | elseif (rank.lt.1000000) then
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| 169 | write(fileNameMP(i2-5:i2), '(i6)') rank
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| 170 | endif
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[32289cd] | 171 | end function fileNameMP
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[bd2278d] | 172 | ! End fileNameMP
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[e40e335] | 173 |
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[cb47b9c] | 174 |
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[3fbbfbb] | 175 | !>
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| 176 | !! Add messages to log. This routine takes the log (debugging) mes-
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| 177 | !! sages and writes them to the log file if the log level is less or
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| 178 | !! equal to the maximum log level given by the global variable
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| 179 | !! MAXLOGLEVEL.
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| 180 | !!
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| 181 | !! @author Jan H. Meinke
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| 182 | !!
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| 183 | !! @param loglevel level at which this message should be added to
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| 184 | !! the log.
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| 185 | !! @param message message to be written to the log.
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| 186 | !! @param rank global rank of this node if running an MPI job zero
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| 187 | !! otherwise.
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| 188 | !<
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[cb47b9c] | 189 | subroutine addLogMessage(loglevel, message, rank)
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[32289cd] | 190 |
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[3fbbfbb] | 191 | integer MAXLOGLEVEL, LOGFILEUNIT
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| 192 | common /log/MAXLOGLEVEL, LOGFILEUNIT
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[32289cd] | 193 |
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[cb47b9c] | 194 | integer :: loglevel, rank
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| 195 | character(LEN=*) :: message
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[32289cd] | 196 |
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[cb47b9c] | 197 | if (loglevel <= MAXLOGLEVEL) then
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| 198 | write(LOGFILEUNIT, *) message
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| 199 | end if
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[32289cd] | 200 |
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| 201 | end subroutine addLogMessage
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