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https://github.com/LCPQ/quantum_package
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Fix MPI
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@ -146,7 +146,6 @@ BEGIN_PROVIDER [ double precision, nuclear_repulsion ]
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END_DOC
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PROVIDE mpi_master nucl_coord nucl_charge nucl_num
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if (mpi_master) then
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if (disk_access_nuclear_repulsion.EQ.'Read') then
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logical :: has
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@ -201,20 +200,6 @@ BEGIN_PROVIDER [ double precision, nuclear_repulsion ]
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endif
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endif
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endif
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IRP_IF MPI
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include 'mpif.h'
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integer :: ierr
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call MPI_BCAST( element_name, size(element_name)*4, MPI_CHARACTER, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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stop 'Unable to read element_name with MPI'
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endif
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call MPI_BCAST( element_mass, size(element_mass), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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stop 'Unable to read element_name with MPI'
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endif
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IRP_ENDIF
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END_PROVIDER
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