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38 lines
899 B
Fortran
Executable File
38 lines
899 B
Fortran
Executable File
program ccsd
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#include "MRCCCOMMON"
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real*8 c(1, 1), cc(1, 1, 1)
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integer ijij, ijia, ijab, iabj , igsl, ccmem(8)
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integer ccsd_communicator
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logical mpi_ccsd, leom
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integer color
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C
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#ifdef MPI
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c integer mpi_err, mpi_rank, ccsd_rank
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mpi_ccsd = .true.
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ccsd_communicator = MPI_COMM_WORLD
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call mrccini_mpi
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tag = 0
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#else
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mpi_ccsd = .false.
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ccsd_communicator = 0
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call mrccini
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#endif
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leom = .false.
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ijij=1 ; ijia=1 ; ijab=1 ; iabj=1 ; igsl=1
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c=1; cc=1; leom=.false.
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call ccsdpt(ijij, ijia, ijab, iabj , igsl, ccmem,
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$imem, iimem, maxcor, dcore, icore, iout,
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$irecln,ibufln,nirmax,multpg,diisfile,errfile,tfile,
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$tinfo,ifcfile,gbasfile,ifltln,mpi_ccsd,master_rank,
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$bcast_comm,inbcast,master_thread,ccsd_communicator,
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$c,cc,imem,imem,leom)
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call mrccend(0)
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end
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C
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