mirror of https://gitlab.com/QEF/q-e.git
fpmd.h merged with machine.h and eliminated
use of machine.h extended to CPV in place of compiler macro other minor changes git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@79 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
parent
e15471940a
commit
4455df25ab
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@ -1,5 +1,7 @@
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!------------------------------------------------------------------------------!
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MODULE cell_module
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MODULE cell_module
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!------------------------------------------------------------------------------!
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!------------------------------------------------------------------------------!
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USE kinds, ONLY : dbl
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USE kinds, ONLY : dbl
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USE cell_base
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USE cell_base
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!
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!
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@ -15,47 +17,6 @@
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REAL(KIND=8), PUBLIC :: h(3,3), deth, hold(3,3), wmass
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REAL(KIND=8), PUBLIC :: h(3,3), deth, hold(3,3), wmass
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!
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!
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REAL(dbl), PRIVATE :: A1(3)
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REAL(dbl), PRIVATE :: A2(3)
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REAL(dbl), PRIVATE :: A3(3)
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REAL(dbl), PRIVATE :: celldm(6)
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INTEGER, PRIVATE :: IBRAV
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REAL(dbl), PRIVATE :: PRESS
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REAL(dbl), PRIVATE :: WC
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LOGICAL, PRIVATE :: taxis(3) = (/ .FALSE., .FALSE., .FALSE. /)
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DATA IBRAV/-1/
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DATA WC/0.0d0/
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contains
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!------------------------------------------------------------------------------!
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SUBROUTINE get_lattice_vectors(a1_out,a2_out,a3_out)
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REAL(dbl), intent(out) :: a1_out(3), a2_out(3), a3_out(3)
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a1_out = a1
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a2_out = a2
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a3_out = a3
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RETURN
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END SUBROUTINE get_lattice_vectors
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!------------------------------------------------------------------------------!
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SUBROUTINE get_celldm( ibrav_out, celldm_out)
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REAL(dbl), intent(out) :: celldm_out(6)
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INTEGER, intent(out) :: ibrav_out
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ibrav_out = ibrav
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celldm_out = celldm
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RETURN
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END SUBROUTINE get_celldm
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!------------------------------------------------------------------------------!
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!
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!
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!------------------------------------------------------------------------------!
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!------------------------------------------------------------------------------!
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END MODULE cell_module
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END MODULE cell_module
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@ -5,6 +5,9 @@
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! in the root directory of the present distribution,
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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#include "../include/machine.h"
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!-----------------------------------------------------------------------
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!-----------------------------------------------------------------------
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subroutine aainit(lli,ap,lpx,lpl)
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subroutine aainit(lli,ap,lpx,lpl)
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!-----------------------------------------------------------------------
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!-----------------------------------------------------------------------
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@ -214,7 +217,7 @@
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end do
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end do
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end do
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end do
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!
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!
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call SCAL(lix*lx*lix*lx*lx,sqrt(1./fpi),cc,1)
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call DSCAL(lix*lx*lix*lx*lx,sqrt(1./fpi),cc,1)
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!
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!
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! transform between real spherical harmonics and the original ones
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! transform between real spherical harmonics and the original ones
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! ( y^r_lm = sum_n u(l,m,n) y_ln )
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! ( y^r_lm = sum_n u(l,m,n) y_ln )
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@ -411,12 +414,12 @@
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!
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!
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if (nspin.eq.1) then
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if (nspin.eq.1) then
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iss=1
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iss=1
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call AXPY(nnr,1.d0,rhoc,1,rhor(1,iss),1)
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call DAXPY(nnr,1.d0,rhoc,1,rhor(1,iss),1)
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else
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else
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isup=1
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isup=1
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isdw=2
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isdw=2
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call AXPY(nnr,0.5d0,rhoc,1,rhor(1,isup),1)
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call DAXPY(nnr,0.5d0,rhoc,1,rhor(1,isup),1)
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call AXPY(nnr,0.5d0,rhoc,1,rhor(1,isdw),1)
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call DAXPY(nnr,0.5d0,rhoc,1,rhor(1,isdw),1)
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end if
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end if
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! rhoc(r) -> rhoc(g) (wrk1 is used as work space)
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! rhoc(r) -> rhoc(g) (wrk1 is used as work space)
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do ir=1,nnr
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do ir=1,nnr
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@ -2085,7 +2088,7 @@
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10 continue
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10 continue
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end do
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end do
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!
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!
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call AXPY(3*nax*nsp,1.d0,fcc,1,fion1,1)
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call DAXPY(3*nax*nsp,1.d0,fcc,1,fion1,1)
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!
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!
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call tictac(21,1)
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call tictac(21,1)
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return
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return
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@ -3301,14 +3304,14 @@
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! calculate orthogonalized cp(i) : |cp(i)>=|cp(i)>-\sum_k<i csc(k)|cp(k)>
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! calculate orthogonalized cp(i) : |cp(i)>=|cp(i)>-\sum_k<i csc(k)|cp(k)>
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!
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!
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do k=1,i-1
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do k=1,i-1
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call AXPY(2*ngw,-csc(k),cp(1,k),1,cp(1,i),1)
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call DAXPY(2*ngw,-csc(k),cp(1,k),1,cp(1,i),1)
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end do
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end do
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anorm =cscnorm(bec,cp,i)
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anorm =cscnorm(bec,cp,i)
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call SCAL(2*ngw,1.0/anorm,cp(1,i),1)
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call DSCAL(2*ngw,1.0/anorm,cp(1,i),1)
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!
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!
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! these are the final bec's
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! these are the final bec's
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!
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!
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call SCAL(nhsavb,1.0/anorm,bec(1,i),1)
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call DSCAL(nhsavb,1.0/anorm,bec(1,i),1)
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end do
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end do
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!
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!
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call tictac(10,1)
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call tictac(10,1)
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@ -4251,7 +4254,7 @@
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#ifdef __PARA
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#ifdef __PARA
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call reduce(3*nax*nvb,fvan)
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call reduce(3*nax*nvb,fvan)
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#endif
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#endif
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call AXPY(3*nax*nvb,-1.d0,fvan,1,fion,1)
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call DAXPY(3*nax*nvb,-1.d0,fvan,1,fion,1)
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!
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!
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10 call tictac(11,1)
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10 call tictac(11,1)
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!
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!
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@ -7165,7 +7168,7 @@
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10 continue
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10 continue
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end do
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end do
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!
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!
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call COPY(nnr,wrk1,2,rhoc,1)
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call DCOPY(nnr,wrk1,2,rhoc,1)
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!
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!
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call tictac(17,1)
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call tictac(17,1)
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!
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!
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@ -7700,7 +7703,7 @@
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call tictac(9,0)
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call tictac(9,0)
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call zero(2*ngw*n,wrk2)
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call zero(2*ngw*n,wrk2)
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do j=1,n
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do j=1,n
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call SCAL(n,ccc,x0(1,j),1)
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call DSCAL(n,ccc,x0(1,j),1)
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end do
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end do
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!
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!
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! wrk2 = sum_m lambda_nm s(r(t+dt))|m>
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! wrk2 = sum_m lambda_nm s(r(t+dt))|m>
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@ -7746,7 +7749,7 @@
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endif
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endif
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!
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!
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do j=1,n
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do j=1,n
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call SCAL(n,1.0/ccc,x0(1,j),1)
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call DSCAL(n,1.0/ccc,x0(1,j),1)
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end do
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end do
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!
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!
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call tictac(9,1)
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call tictac(9,1)
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@ -5,6 +5,9 @@
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! in the root directory of the present distribution,
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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#include "../include/machine.h"
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!
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!
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!=======================================================================
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!=======================================================================
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!
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!
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@ -1343,7 +1346,7 @@
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!
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!
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! cm=c(t+dt) c0=c(t)
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! cm=c(t+dt) c0=c(t)
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!
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!
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call SWAP(2*ngw*n,c0,1,cm,1)
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call DSWAP(2*ngw*n,c0,1,cm,1)
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!
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!
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! now: cm=c(t) c0=c(t+dt)
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! now: cm=c(t) c0=c(t+dt)
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!
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!
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35
CPV/fftw.f90
35
CPV/fftw.f90
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@ -5,6 +5,9 @@
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! in the root directory of the present distribution,
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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#include "../include/machine.h"
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#if defined(__FFTW)
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#if defined(__FFTW)
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module fftw_mod
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module fftw_mod
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@ -34,9 +37,9 @@ end module fftw_mod
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! must be used
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! must be used
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!
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!
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#if defined(__SGI64) || defined(__COMPAQ)
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#if defined(__SGI64) || defined(__COMPAQ)
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#define POINTER integer(kind=8)
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#define PLAN_C_POINTER integer(kind=8)
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#else
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#else
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#define POINTER integer
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#define PLAN_C_POINTER integer
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#endif
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#endif
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!
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!
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!-------------------------------------------------------------------------
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!-------------------------------------------------------------------------
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@ -55,7 +58,7 @@ end module fftw_mod
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!
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!
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! initialization variables
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! initialization variables
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!
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!
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POINTER plan(2)
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PLAN_C_POINTER plan(2)
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save plan
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save plan
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data plan/0,0/
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data plan/0,0/
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!
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!
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@ -78,7 +81,7 @@ end module fftw_mod
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!
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!
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if (isign.eq.-1) then
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if (isign.eq.-1) then
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fac=1.0/float(nr1*nr2*nr3)
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fac=1.0/float(nr1*nr2*nr3)
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call SCAL(2*nr1*nr2*nr3, fac, f, 1)
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call DSCAL(2*nr1*nr2*nr3, fac, f, 1)
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end if
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end if
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!
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!
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return
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return
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@ -100,7 +103,7 @@ end module fftw_mod
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!
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!
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! initialization variables
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! initialization variables
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!
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!
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POINTER plan(2)
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PLAN_C_POINTER plan(2)
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save plan
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save plan
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data plan/0,0/
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data plan/0,0/
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!
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!
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@ -123,7 +126,7 @@ end module fftw_mod
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!
|
!
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if (isign.eq.-1) then
|
if (isign.eq.-1) then
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fac=1.0/dfloat(nr1*nr2*nr3)
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fac=1.0/dfloat(nr1*nr2*nr3)
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call SCAL(2*nr1*nr2*nr3, fac, f, 1)
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call DSCAL(2*nr1*nr2*nr3, fac, f, 1)
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end if
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end if
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!
|
!
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return
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return
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|
@ -145,7 +148,7 @@ end module fftw_mod
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!
|
!
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||||||
! initialization variables
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! initialization variables
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||||||
!
|
!
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||||||
POINTER plan(2)
|
PLAN_C_POINTER plan(2)
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save plan
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save plan
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data plan/0,0/
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data plan/0,0/
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||||||
!
|
!
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|
@ -168,7 +171,7 @@ end module fftw_mod
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!
|
!
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if (isign.eq.-1) then
|
if (isign.eq.-1) then
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fac=1.0/dfloat(nr1*nr2*nr3)
|
fac=1.0/dfloat(nr1*nr2*nr3)
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call SCAL(2*nr1*nr2*nr3, fac, f, 1)
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call DSCAL(2*nr1*nr2*nr3, fac, f, 1)
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end if
|
end if
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||||||
!
|
!
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||||||
return
|
return
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|
@ -191,7 +194,7 @@ end module fftw_mod
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||||||
!
|
!
|
||||||
! initialization variables
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! initialization variables
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||||||
!
|
!
|
||||||
POINTER plan(2)
|
PLAN_C_POINTER plan(2)
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||||||
save plan
|
save plan
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||||||
data plan/0,0/
|
data plan/0,0/
|
||||||
!
|
!
|
||||||
|
@ -212,7 +215,7 @@ end module fftw_mod
|
||||||
!
|
!
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||||||
if (isign.eq.-1) then
|
if (isign.eq.-1) then
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fac=1.0/float(n)
|
fac=1.0/float(n)
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call SCAL(2*nx*m, fac, fout, 1)
|
call DSCAL(2*nx*m, fac, fout, 1)
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||||||
end if
|
end if
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||||||
#endif
|
#endif
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||||||
return
|
return
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||||||
|
@ -236,7 +239,7 @@ end module fftw_mod
|
||||||
!
|
!
|
||||||
! initialization variables
|
! initialization variables
|
||||||
!
|
!
|
||||||
POINTER plan(2)
|
PLAN_C_POINTER plan(2)
|
||||||
save plan
|
save plan
|
||||||
data plan/0,0/
|
data plan/0,0/
|
||||||
!
|
!
|
||||||
|
@ -259,7 +262,7 @@ end module fftw_mod
|
||||||
!
|
!
|
||||||
if (isign.eq.-1) then
|
if (isign.eq.-1) then
|
||||||
fac=1.0/float(n1*n2)
|
fac=1.0/float(n1*n2)
|
||||||
call SCAL(2*nx1*nx2*mplane, fac, f, 1)
|
call DSCAL(2*nx1*nx2*mplane, fac, f, 1)
|
||||||
end if
|
end if
|
||||||
#endif
|
#endif
|
||||||
return
|
return
|
||||||
|
@ -282,7 +285,7 @@ end module fftw_mod
|
||||||
!
|
!
|
||||||
! initialization variables
|
! initialization variables
|
||||||
!
|
!
|
||||||
POINTER plan(2)
|
PLAN_C_POINTER plan(2)
|
||||||
save plan
|
save plan
|
||||||
data plan/0,0/
|
data plan/0,0/
|
||||||
!
|
!
|
||||||
|
@ -305,7 +308,7 @@ end module fftw_mod
|
||||||
!
|
!
|
||||||
if (isign.eq.-1.or.isign.eq.-2) then
|
if (isign.eq.-1.or.isign.eq.-2) then
|
||||||
fac=1.0/float(n)
|
fac=1.0/float(n)
|
||||||
call SCAL(2*nx*m, fac, fout, 1)
|
call DSCAL(2*nx*m, fac, fout, 1)
|
||||||
end if
|
end if
|
||||||
#endif
|
#endif
|
||||||
return
|
return
|
||||||
|
@ -331,7 +334,7 @@ end module fftw_mod
|
||||||
!
|
!
|
||||||
! initialization variables
|
! initialization variables
|
||||||
!
|
!
|
||||||
POINTER plan1(2), plan2(2)
|
PLAN_C_POINTER plan1(2), plan2(2)
|
||||||
save plan1, plan2
|
save plan1, plan2
|
||||||
data plan1/0,0/, plan2/0,0/
|
data plan1/0,0/, plan2/0,0/
|
||||||
!
|
!
|
||||||
|
@ -401,7 +404,7 @@ end module fftw_mod
|
||||||
end do
|
end do
|
||||||
!
|
!
|
||||||
fac=1.0/float(n1*n2)
|
fac=1.0/float(n1*n2)
|
||||||
call SCAL(2*nx1*nx2*mplane, fac, f, 1)
|
call DSCAL(2*nx1*nx2*mplane, fac, f, 1)
|
||||||
!
|
!
|
||||||
end if
|
end if
|
||||||
#endif
|
#endif
|
||||||
|
|
10
CPV/para.f90
10
CPV/para.f90
|
@ -6,6 +6,8 @@
|
||||||
! or http://www.gnu.org/copyleft/gpl.txt .
|
! or http://www.gnu.org/copyleft/gpl.txt .
|
||||||
!
|
!
|
||||||
|
|
||||||
|
#include "../include/machine.h"
|
||||||
|
|
||||||
module para_mod
|
module para_mod
|
||||||
|
|
||||||
integer maxproc, ncplanex
|
integer maxproc, ncplanex
|
||||||
|
@ -1000,7 +1002,7 @@ end module para_mod
|
||||||
from = offset1(proc)
|
from = offset1(proc)
|
||||||
dest = 1 + sdispls(proc)
|
dest = 1 + sdispls(proc)
|
||||||
do k = 1, ncp_(me)
|
do k = 1, ncp_(me)
|
||||||
call COPY ( 2 * npp_(proc), &
|
call DCOPY ( 2 * npp_(proc), &
|
||||||
& f_in ( from + 2*(k-1)*nr3x) , 1, &
|
& f_in ( from + 2*(k-1)*nr3x) , 1, &
|
||||||
& f_aux( dest + 2*(k-1)*npp_(proc) ) , 1 )
|
& f_aux( dest + 2*(k-1)*npp_(proc) ) , 1 )
|
||||||
end do
|
end do
|
||||||
|
@ -1036,7 +1038,7 @@ end module para_mod
|
||||||
from = 1 + sdispls(proc)
|
from = 1 + sdispls(proc)
|
||||||
dest = offset1(proc)
|
dest = offset1(proc)
|
||||||
do k = 1, ncp_(me)
|
do k = 1, ncp_(me)
|
||||||
call COPY ( 2 * npp_(proc), &
|
call DCOPY ( 2 * npp_(proc), &
|
||||||
& f_aux( from + 2*(k-1)*npp_(proc) ) , 1 , &
|
& f_aux( from + 2*(k-1)*npp_(proc) ) , 1 , &
|
||||||
& f_in ( dest + 2*(k-1)*nr3x) , 1 )
|
& f_in ( dest + 2*(k-1)*nr3x) , 1 )
|
||||||
end do
|
end do
|
||||||
|
@ -1082,7 +1084,7 @@ end module para_mod
|
||||||
& MPI_REAL8, MPI_SUM, MPI_COMM_WORLD, ierr)
|
& MPI_REAL8, MPI_SUM, MPI_COMM_WORLD, ierr)
|
||||||
if (ierr.ne.0) &
|
if (ierr.ne.0) &
|
||||||
& call error('reduce','error in allreduce1',ierr)
|
& call error('reduce','error in allreduce1',ierr)
|
||||||
call COPY(MAXB,buff,1,ps(1+(n-1)*MAXB),1)
|
call DCOPY(MAXB,buff,1,ps(1+(n-1)*MAXB),1)
|
||||||
end do
|
end do
|
||||||
!
|
!
|
||||||
! possible remaining elements < maxb
|
! possible remaining elements < maxb
|
||||||
|
@ -1092,7 +1094,7 @@ end module para_mod
|
||||||
& MPI_REAL8, MPI_SUM, MPI_COMM_WORLD, ierr)
|
& MPI_REAL8, MPI_SUM, MPI_COMM_WORLD, ierr)
|
||||||
if (ierr.ne.0) &
|
if (ierr.ne.0) &
|
||||||
& call error('reduce','error in allreduce2',ierr)
|
& call error('reduce','error in allreduce2',ierr)
|
||||||
call COPY(size-nbuf*MAXB,buff,1,ps(1+nbuf*MAXB),1)
|
call DCOPY(size-nbuf*MAXB,buff,1,ps(1+nbuf*MAXB),1)
|
||||||
endif
|
endif
|
||||||
call tictac(29,1)
|
call tictac(29,1)
|
||||||
!
|
!
|
||||||
|
|
|
@ -5,7 +5,9 @@
|
||||||
! in the root directory of the present distribution,
|
! in the root directory of the present distribution,
|
||||||
! or http://www.gnu.org/copyleft/gpl.txt .
|
! or http://www.gnu.org/copyleft/gpl.txt .
|
||||||
!
|
!
|
||||||
!
|
|
||||||
|
#include "../include/machine.h"
|
||||||
|
|
||||||
complex(kind=8) function csum(n,a,nstride)
|
complex(kind=8) function csum(n,a,nstride)
|
||||||
!
|
!
|
||||||
! wrapper routine for cray scilib function csum
|
! wrapper routine for cray scilib function csum
|
||||||
|
@ -98,7 +100,7 @@
|
||||||
!
|
!
|
||||||
! call to BLAS3 routine GEMM
|
! call to BLAS3 routine GEMM
|
||||||
!
|
!
|
||||||
call GEMM &
|
call DGEMM &
|
||||||
& (mode1,mode2,nar,nbc,nac,1.d0,a,lda,b,ldb,0.d0,c,icd)
|
& (mode1,mode2,nar,nbc,nac,1.d0,a,lda,b,ldb,0.d0,c,icd)
|
||||||
!
|
!
|
||||||
return
|
return
|
||||||
|
|
|
@ -8,16 +8,19 @@
|
||||||
|
|
||||||
MODULE io_global
|
MODULE io_global
|
||||||
|
|
||||||
USE kinds
|
|
||||||
IMPLICIT NONE
|
IMPLICIT NONE
|
||||||
|
|
||||||
PRIVATE
|
PRIVATE
|
||||||
SAVE
|
SAVE
|
||||||
|
|
||||||
PUBLIC :: io_global_start, ionode, ionode_id
|
PUBLIC :: io_global_start, io_global_getionode
|
||||||
|
PUBLIC :: ionode, ionode_id
|
||||||
|
|
||||||
INTEGER :: ionode_id = 0
|
INTEGER :: ionode_id = 0
|
||||||
LOGICAL :: ionode = .TRUE.
|
LOGICAL :: ionode = .TRUE.
|
||||||
|
|
||||||
|
LOGICAL :: first = .TRUE.
|
||||||
|
|
||||||
CONTAINS
|
CONTAINS
|
||||||
|
|
||||||
SUBROUTINE io_global_start(mpime,ionode_set)
|
SUBROUTINE io_global_start(mpime,ionode_set)
|
||||||
|
@ -28,7 +31,20 @@
|
||||||
ionode = .FALSE.
|
ionode = .FALSE.
|
||||||
END IF
|
END IF
|
||||||
ionode_id = ionode_set
|
ionode_id = ionode_set
|
||||||
|
first = .FALSE.
|
||||||
RETURN
|
RETURN
|
||||||
END SUBROUTINE io_global_start
|
END SUBROUTINE io_global_start
|
||||||
|
|
||||||
|
|
||||||
|
SUBROUTINE io_global_getionode( ionode_out, ionode_id_out )
|
||||||
|
LOGICAL, INTENT(OUT) :: ionode_out
|
||||||
|
INTEGER, INTENT(OUT) :: ionode_id_out
|
||||||
|
IF( first ) &
|
||||||
|
CALL error( ' get_ionode ', ' ionode not yet defined ', 1 )
|
||||||
|
ionode_out = ionode
|
||||||
|
ionode_id_out = ionode_id
|
||||||
|
RETURN
|
||||||
|
END SUBROUTINE io_global_getionode
|
||||||
|
|
||||||
|
|
||||||
END MODULE io_global
|
END MODULE io_global
|
||||||
|
|
|
@ -12,84 +12,26 @@
|
||||||
#include"cp.h"
|
#include"cp.h"
|
||||||
|
|
||||||
|
|
||||||
void cc_getenv(char *name,char *value)
|
void use_c_getenv( char *name, char *value, int nchmax )
|
||||||
{
|
{
|
||||||
char *ptr;
|
char *ptr;
|
||||||
|
int ic;
|
||||||
|
|
||||||
ptr = getenv( name );
|
ptr = getenv( name );
|
||||||
|
ic = 0;
|
||||||
if( ptr ) {
|
if( ptr ) {
|
||||||
while ( *ptr ) *value++ = *ptr++ ;
|
while ( *ptr && ic < (nchmax-1) ) { *value++ = *ptr++ ; ic++; }
|
||||||
}
|
}
|
||||||
*value = '\0';
|
*value = '\0';
|
||||||
|
|
||||||
}
|
}
|
||||||
|
|
||||||
int CP_GETENV(int *out_nruns,char infile[][256],
|
int CP_GETENV( /* WAITING FOR ARGUMENTS */ )
|
||||||
char outfile[][256],char cdir[],char input_dir[])
|
|
||||||
{
|
{
|
||||||
char runs[10][3];
|
char pwd[256];
|
||||||
char value[256];
|
int nchmax = 256;
|
||||||
char filename[256];
|
|
||||||
char output_dir[256];
|
|
||||||
int i,j,k;
|
|
||||||
int nruns;
|
|
||||||
|
|
||||||
|
use_c_getenv( "PWD", pwd, nchmax );
|
||||||
cc_getenv("PWD",cdir);
|
|
||||||
cc_getenv("CP_INPUT_DIR",input_dir);
|
|
||||||
/* printf("%s\n",input_dir);*/
|
|
||||||
cc_getenv("CP_OUTPUT_DIR",output_dir);
|
|
||||||
/* printf("%s\n",output_dir);*/
|
|
||||||
cc_getenv("CP_FILENAME",filename);
|
|
||||||
/* printf("%s\n",filename); */
|
|
||||||
cc_getenv("CP_RUNS",value);
|
|
||||||
/* printf("%s\n",value); */
|
|
||||||
|
|
||||||
for(k=0,i=0; k<10 && value[i] ;k++) {
|
|
||||||
for(j=0; j<2; j++, i++) runs[k][j] = value[i];
|
|
||||||
runs[k][j] = '\0';
|
|
||||||
i++;
|
|
||||||
}
|
|
||||||
nruns = k;
|
|
||||||
|
|
||||||
for(k=0;k<nruns;k++) {
|
|
||||||
|
|
||||||
printf("Run : %s\n",runs[k]);
|
|
||||||
|
|
||||||
strcpy(value,input_dir);
|
|
||||||
strcat(value,"/");
|
|
||||||
strcat(value,filename);
|
|
||||||
strcat(value,".in.");
|
|
||||||
strcat(value,runs[k]);
|
|
||||||
|
|
||||||
/* printf("input file : %s\n",value); */
|
|
||||||
for(i=0; value[i]; i++) infile[k][i] = value[i];
|
|
||||||
infile[k][i]=' ';
|
|
||||||
|
|
||||||
strcpy(value,output_dir);
|
|
||||||
strcat(value,"/");
|
|
||||||
strcat(value,filename);
|
|
||||||
strcat(value,".out.");
|
|
||||||
strcat(value,runs[k]);
|
|
||||||
|
|
||||||
/* printf("output file : %s\n",value); */
|
|
||||||
for(i=0; value[i]; i++) outfile[k][i] = value[i];
|
|
||||||
outfile[k][i]=' ';
|
|
||||||
|
|
||||||
|
|
||||||
}
|
|
||||||
|
|
||||||
for(i=0; cdir[i] && i<255 ; i++) ;
|
|
||||||
if(i>0) cdir[i++] = '/';
|
|
||||||
cdir[i] = ' ';
|
|
||||||
for(i=0; input_dir[i] && i<255 ; i++) ;
|
|
||||||
if(i>0) input_dir[i++] = '/';
|
|
||||||
input_dir[i] = ' ';
|
|
||||||
|
|
||||||
*out_nruns = nruns;
|
|
||||||
|
|
||||||
return 0;
|
return 0;
|
||||||
|
|
||||||
}
|
}
|
||||||
|
|
||||||
|
|
||||||
|
|
|
@ -85,7 +85,7 @@
|
||||||
|
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
#if defined __PORTLAND
|
#if defined __PGI
|
||||||
|
|
||||||
# if defined __GNU_LINK
|
# if defined __GNU_LINK
|
||||||
|
|
||||||
|
|
|
@ -1,69 +0,0 @@
|
||||||
|
|
||||||
#if defined __CRAY
|
|
||||||
|
|
||||||
# define FPMD_MPI_COMPLEX MPI_COMPLEX
|
|
||||||
# define FPMD_MPI_REAL MPI_REAL
|
|
||||||
|
|
||||||
# define FPMD_DGEMTX SGEMTX
|
|
||||||
# define FPMD_DGEMX SGEMX
|
|
||||||
# define FPMD_ZGEFA CGEFA
|
|
||||||
# define FPMD_ZGEDI CGEDI
|
|
||||||
# define FPMD_DGESUB SGESUB
|
|
||||||
# define FPMD_DGER SGER
|
|
||||||
# define FPMD_DGEMV SGEMV
|
|
||||||
# define FPMD_ZGEMV CGEMV
|
|
||||||
# define FPMD_DCOPY SCOPY
|
|
||||||
# define FPMD_ZCOPY CCOPY
|
|
||||||
# define FPMD_DGEMM SGEMM
|
|
||||||
# define FPMD_ZGEMM CGEMM
|
|
||||||
# define FPMD_DGEMUL SGEMUL
|
|
||||||
# define FPMD_IDAMAX ISAMAX
|
|
||||||
# define FPMD_ZSCAL CSCAL
|
|
||||||
# define FPMD_DSCAL SSCAL
|
|
||||||
# define FPMD_ZDSCAL CSSCAL
|
|
||||||
# define FPMD_DSWAP SSWAP
|
|
||||||
# define FPMD_ZSWAP CSWAP
|
|
||||||
# define FPMD_DYAX SYAX
|
|
||||||
# define FPMD_DNRM2 SNRM2
|
|
||||||
# define FPMD_DAXPY SAXPY
|
|
||||||
# define FPMD_ZAXPY CAXPY
|
|
||||||
# define FPMD_ZDOTU CDOTU
|
|
||||||
# define FPMD_ZDOTC CDOTC
|
|
||||||
# define FPMD_DDOT SDOT
|
|
||||||
# define FPMD_IZAMAX ICAMAX
|
|
||||||
|
|
||||||
#else
|
|
||||||
|
|
||||||
# define FPMD_MPI_COMPLEX MPI_DOUBLE_COMPLEX
|
|
||||||
# define FPMD_MPI_REAL MPI_DOUBLE_PRECISION
|
|
||||||
|
|
||||||
# define FPMD_DGEMTX DGEMTX
|
|
||||||
# define FPMD_DGEMX DGEMX
|
|
||||||
# define FPMD_ZGEFA ZGEFA
|
|
||||||
# define FPMD_ZGEDI ZGEDI
|
|
||||||
# define FPMD_DGESUB DGESUB
|
|
||||||
# define FPMD_DGER DGER
|
|
||||||
# define FPMD_DGEMV DGEMV
|
|
||||||
# define FPMD_ZGEMV ZGEMV
|
|
||||||
# define FPMD_DCOPY DCOPY
|
|
||||||
# define FPMD_ZCOPY ZCOPY
|
|
||||||
# define FPMD_DGEMM DGEMM
|
|
||||||
# define FPMD_ZGEMM ZGEMM
|
|
||||||
# define FPMD_DGEMUL DGEMUL
|
|
||||||
# define FPMD_IDAMAX IDAMAX
|
|
||||||
# define FPMD_ZSCAL ZSCAL
|
|
||||||
# define FPMD_DSCAL DSCAL
|
|
||||||
# define FPMD_ZDSCAL ZDSCAL
|
|
||||||
# define FPMD_DSWAP DSWAP
|
|
||||||
# define FPMD_ZSWAP ZSWAP
|
|
||||||
# define FPMD_DYAX DYAX
|
|
||||||
# define FPMD_DNRM2 DNRM2
|
|
||||||
# define FPMD_DAXPY DAXPY
|
|
||||||
# define FPMD_ZAXPY ZAXPY
|
|
||||||
# define FPMD_ZDOTU ZDOTU
|
|
||||||
# define FPMD_ZDOTC ZDOTC
|
|
||||||
# define FPMD_DDOT DDOT
|
|
||||||
# define FPMD_IZAMAX IZAMAX
|
|
||||||
|
|
||||||
#endif
|
|
||||||
|
|
|
@ -6,22 +6,22 @@
|
||||||
#if defined(CRAYY) || defined(SGI) || defined(PC) || defined(AIX) || defined(T3D) ||defined(HITACHI) || defined(SUN)
|
#if defined(CRAYY) || defined(SGI) || defined(PC) || defined(AIX) || defined(T3D) ||defined(HITACHI) || defined(SUN)
|
||||||
# define C_POINTER integer
|
# define C_POINTER integer
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
#if defined(ORIGIN) || defined (FUJ64)|| defined (DEC) || defined (__SX6)
|
#if defined(ORIGIN) || defined (FUJ64)|| defined (DEC) || defined (__SX6)
|
||||||
# define C_POINTER integer*8
|
# define C_POINTER integer*8
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
#if defined(__SX4)
|
#if defined(__SX4)
|
||||||
# define C_POINTER real*8
|
# define C_POINTER real*8
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
#if defined(__SX4)
|
#if defined(__SX4)
|
||||||
# define DIRECT_IO_FACTOR 1
|
# define DIRECT_IO_FACTOR 1
|
||||||
#else
|
#elif defined(DEC)
|
||||||
#if defined(DEC)
|
|
||||||
# define DIRECT_IO_FACTOR 2
|
# define DIRECT_IO_FACTOR 2
|
||||||
#else
|
#else
|
||||||
# define DIRECT_IO_FACTOR 8
|
# define DIRECT_IO_FACTOR 8
|
||||||
#endif
|
#endif
|
||||||
#endif
|
|
||||||
|
|
||||||
#if defined(CRAYY) || defined (__SX4) || defined (T3D)
|
#if defined(CRAYY) || defined (__SX4) || defined (T3D)
|
||||||
|
|
||||||
|
@ -42,6 +42,7 @@
|
||||||
# define DSYTRI ssytri
|
# define DSYTRI ssytri
|
||||||
# define DSYGV ssygv
|
# define DSYGV ssygv
|
||||||
# define DSYGVX ssygvx
|
# define DSYGVX ssygvx
|
||||||
|
# define DSWAP sswap
|
||||||
# define ILAENV ilaenv
|
# define ILAENV ilaenv
|
||||||
# define ZAXPY caxpy
|
# define ZAXPY caxpy
|
||||||
# define ZCOPY ccopy
|
# define ZCOPY ccopy
|
||||||
|
@ -55,6 +56,20 @@
|
||||||
# define ZHETRD CHETRD
|
# define ZHETRD CHETRD
|
||||||
# define ZSCAL cscal
|
# define ZSCAL cscal
|
||||||
|
|
||||||
|
# define IZAMAX icamax
|
||||||
|
# define DYAX syax
|
||||||
|
# define ZSWAP cswap
|
||||||
|
# define ZDSCAL csscal
|
||||||
|
# define IDAMAX isamax
|
||||||
|
# define DGEMUL sgemul
|
||||||
|
# define DGESUB sgesub
|
||||||
|
# define DGER sger
|
||||||
|
# define ZGEFA cgefa
|
||||||
|
# define ZGEDI cgedi
|
||||||
|
# define DGEMTX sgemtx
|
||||||
|
# define DGEMX sgemx
|
||||||
|
|
||||||
|
|
||||||
#else
|
#else
|
||||||
|
|
||||||
# define DREAL dreal
|
# define DREAL dreal
|
||||||
|
@ -76,6 +91,7 @@
|
||||||
# define DSYTRI dsytri__
|
# define DSYTRI dsytri__
|
||||||
# define DSYGV dsygv__
|
# define DSYGV dsygv__
|
||||||
# define DSYGVX dsygvx__
|
# define DSYGVX dsygvx__
|
||||||
|
# define DSWAP dswap__
|
||||||
# define ILAENV ilaenv__
|
# define ILAENV ilaenv__
|
||||||
# define ZAXPY zaxpy__
|
# define ZAXPY zaxpy__
|
||||||
# define ZCOPY zcopy__
|
# define ZCOPY zcopy__
|
||||||
|
@ -88,8 +104,20 @@
|
||||||
# define ZHEGVX zhegvx__
|
# define ZHEGVX zhegvx__
|
||||||
# define ZSCAL zscal__
|
# define ZSCAL zscal__
|
||||||
|
|
||||||
#else
|
# define IZAMAX izamax__
|
||||||
#if defined(ADD_BLAS_ONE_UNDERSCORE)
|
# define DYAX dyax__
|
||||||
|
# define ZSWAP zswap__
|
||||||
|
# define ZDSCAL zdscal__
|
||||||
|
# define IDAMAX idamax__
|
||||||
|
# define DGEMUL dgemul__
|
||||||
|
# define DGESUB dgesub__
|
||||||
|
# define DGER dger__
|
||||||
|
# define ZGEFA zgefa__
|
||||||
|
# define ZGEDI zgedi__
|
||||||
|
# define DGEMTX dgemtx__
|
||||||
|
# define DGEMX dgemx__
|
||||||
|
|
||||||
|
# elif defined(ADD_BLAS_ONE_UNDERSCORE)
|
||||||
|
|
||||||
# define DAXPY daxpy_
|
# define DAXPY daxpy_
|
||||||
# define DCOPY dcopy_
|
# define DCOPY dcopy_
|
||||||
|
@ -104,6 +132,7 @@
|
||||||
# define DSYTRI dsytri_
|
# define DSYTRI dsytri_
|
||||||
# define DSYGV dsygv_
|
# define DSYGV dsygv_
|
||||||
# define DSYGVX dsygvx_
|
# define DSYGVX dsygvx_
|
||||||
|
# define DSWAP dswap_
|
||||||
# define ILAENV ilaenv_
|
# define ILAENV ilaenv_
|
||||||
# define ZAXPY zaxpy_
|
# define ZAXPY zaxpy_
|
||||||
# define ZCOPY zcopy_
|
# define ZCOPY zcopy_
|
||||||
|
@ -116,6 +145,19 @@
|
||||||
# define ZHEGVX zhegvx_
|
# define ZHEGVX zhegvx_
|
||||||
# define ZSCAL zscal_
|
# define ZSCAL zscal_
|
||||||
|
|
||||||
|
# define IZAMAX izamax_
|
||||||
|
# define DYAX dyax_
|
||||||
|
# define ZSWAP zswap_
|
||||||
|
# define ZDSCAL zdscal_
|
||||||
|
# define IDAMAX idamax_
|
||||||
|
# define DGEMUL dgemul_
|
||||||
|
# define DGESUB dgesub_
|
||||||
|
# define DGER dger_
|
||||||
|
# define ZGEFA zgefa_
|
||||||
|
# define ZGEDI zgedi_
|
||||||
|
# define DGEMTX dgemtx_
|
||||||
|
# define DGEMX dgemx_
|
||||||
|
|
||||||
# else
|
# else
|
||||||
|
|
||||||
# define DAXPY daxpy
|
# define DAXPY daxpy
|
||||||
|
@ -131,6 +173,7 @@
|
||||||
# define DSYTRI dsytri
|
# define DSYTRI dsytri
|
||||||
# define DSYGV dsygv
|
# define DSYGV dsygv
|
||||||
# define DSYGVX dsygvx
|
# define DSYGVX dsygvx
|
||||||
|
# define DSWAP dswap
|
||||||
# define ILAENV ilaenv
|
# define ILAENV ilaenv
|
||||||
# define ZAXPY zaxpy
|
# define ZAXPY zaxpy
|
||||||
# define ZCOPY zcopy
|
# define ZCOPY zcopy
|
||||||
|
@ -143,7 +186,18 @@
|
||||||
# define ZHEGVX zhegvx
|
# define ZHEGVX zhegvx
|
||||||
# define ZSCAL zscal
|
# define ZSCAL zscal
|
||||||
|
|
||||||
#endif
|
# define IZAMAX izamax
|
||||||
|
# define DYAX dyax
|
||||||
|
# define ZSWAP zswap
|
||||||
|
# define ZDSCAL zdscal
|
||||||
|
# define IDAMAX idamax
|
||||||
|
# define DGEMUL dgemul
|
||||||
|
# define DGESUB dgesub
|
||||||
|
# define DGER dger
|
||||||
|
# define ZGEFA zgefa
|
||||||
|
# define ZGEDI zgedi
|
||||||
|
# define DGEMTX dgemtx
|
||||||
|
# define DGEMX dgemx
|
||||||
|
|
||||||
# endif
|
# endif
|
||||||
|
|
||||||
|
|
|
@ -9,7 +9,7 @@
|
||||||
# --- Change Variables according to your system --- #
|
# --- Change Variables according to your system --- #
|
||||||
|
|
||||||
# ** Preprocessor Macro **
|
# ** Preprocessor Macro **
|
||||||
CPMACRO=-D__AIX,-D__LIBMASS,-D__ESSL,-DSWAP=dswap,-DAXPY=daxpy,-DSCAL=dscal,-DCOPY=dcopy,-DGEMM=dgemm
|
CPMACRO=-D__AIX,-D__LIBMASS,-D__ESSL
|
||||||
#
|
#
|
||||||
# Uncomment to Use IBM mass
|
# Uncomment to Use IBM mass
|
||||||
MASS= -L /cineca/lib/mass -lmassv -lmass
|
MASS= -L /cineca/lib/mass -lmassv -lmass
|
||||||
|
|
|
@ -10,7 +10,7 @@
|
||||||
CPUTYPE=ev67
|
CPUTYPE=ev67
|
||||||
|
|
||||||
# ** Preprocessor Macro **
|
# ** Preprocessor Macro **
|
||||||
CPMACRO=-D__QSW -D__MPI -D__PARA -D__FFTW -DSWAP=dswap -DAXPY=daxpy -DSCAL=dscal -DCOPY=dcopy -DGEMM=dgemm -D__TRU64
|
CPMACRO=-D__QSW -D__MPI -D__PARA -D__FFTW -D__TRU64
|
||||||
|
|
||||||
#
|
#
|
||||||
# ** Scientific Libraries **
|
# ** Scientific Libraries **
|
||||||
|
|
|
@ -10,7 +10,7 @@
|
||||||
CPUTYPE=ev67
|
CPUTYPE=ev67
|
||||||
|
|
||||||
# ** Preprocessor Macro **
|
# ** Preprocessor Macro **
|
||||||
CPMACRO=-D__QSW -D__MPI -D__PARA -D__FFTW -DSWAP=dswap -DAXPY=daxpy -DSCAL=dscal -DCOPY=dcopy -DGEMM=dgemm -D__TRU64
|
CPMACRO=-D__QSW -D__MPI -D__PARA -D__FFTW -D__TRU64
|
||||||
#
|
#
|
||||||
# ** Communication Libraries **
|
# ** Communication Libraries **
|
||||||
MPIINCLUDE= -I/usr/include
|
MPIINCLUDE= -I/usr/include
|
||||||
|
|
|
@ -12,7 +12,7 @@
|
||||||
|
|
||||||
# Add -D__LIBMASS to use IBM mass
|
# Add -D__LIBMASS to use IBM mass
|
||||||
# Add -D__FFTW to use fftw
|
# Add -D__FFTW to use fftw
|
||||||
CPMACRO=-D__AIX,-D__MPI,-D__PARA,-D__LIBMASS,-D__ESSL,-DSWAP=dswap,-DAXPY=daxpy,-DSCAL=dscal,-DCOPY=dcopy,-DGEMM=dgemm
|
CPMACRO=-D__AIX,-D__MPI,-D__PARA,-D__LIBMASS,-D__ESSL
|
||||||
|
|
||||||
|
|
||||||
# ** Uncomment to Use IBM mass **
|
# ** Uncomment to Use IBM mass **
|
||||||
|
|
|
@ -8,7 +8,7 @@
|
||||||
# --- Change Variables according to your system --- #
|
# --- Change Variables according to your system --- #
|
||||||
|
|
||||||
# ** Preprocessor Macro **
|
# ** Preprocessor Macro **
|
||||||
CPMACRO=-D__SGI -D__ORIGIN -D__FFTW -DSWAP=dswap -DAXPY=daxpy -DSCAL=dscal -DCOPY=dcopy -DGEMM=dgemm
|
CPMACRO=-D__SGI -D__ORIGIN -D__FFTW
|
||||||
#
|
#
|
||||||
# ** Scientific Libraries **
|
# ** Scientific Libraries **
|
||||||
# Uncomment to Use system library
|
# Uncomment to Use system library
|
||||||
|
|
|
@ -12,7 +12,7 @@
|
||||||
# Serial Code
|
# Serial Code
|
||||||
# undefine __PARA __MPI
|
# undefine __PARA __MPI
|
||||||
# Parallel MPI
|
# Parallel MPI
|
||||||
CPMACRO=-D__PGI -D__PARA -D__MPI -D__LINUX -D__PORTLAND -D__FFTW -DSWAP=dswap -DAXPY=daxpy -DSCAL=dscal -DCOPY=dcopy -DGEMM=dgemm
|
CPMACRO=-D__PGI -D__PARA -D__MPI -D__LINUX -D__FFTW
|
||||||
#
|
#
|
||||||
# ** Communication Libraries **
|
# ** Communication Libraries **
|
||||||
MPICH = /usr/local/mpich/current/
|
MPICH = /usr/local/mpich/current/
|
||||||
|
|
|
@ -11,7 +11,6 @@
|
||||||
# ** Preprocessor Macro **
|
# ** Preprocessor Macro **
|
||||||
# Parallel MPI
|
# Parallel MPI
|
||||||
CPMACRO=-D__LINUX -D__MPI -D__PARA -D__INTEL -D__FFTW \
|
CPMACRO=-D__LINUX -D__MPI -D__PARA -D__INTEL -D__FFTW \
|
||||||
-DSWAP=dswap -DAXPY=daxpy -DSCAL=dscal -DCOPY=dcopy -DGEMM=dgemm \
|
|
||||||
-D"fftwnd_f77_one=fftwnd_f77_one_" \
|
-D"fftwnd_f77_one=fftwnd_f77_one_" \
|
||||||
-D"fftw3d_f77_create_plan=fftw3d_f77_create_plan_" \
|
-D"fftw3d_f77_create_plan=fftw3d_f77_create_plan_" \
|
||||||
-D"fftw_f77=fftw_f77_" \
|
-D"fftw_f77=fftw_f77_" \
|
||||||
|
@ -19,7 +18,6 @@
|
||||||
#
|
#
|
||||||
# Serial Code
|
# Serial Code
|
||||||
CPMACRO=-D__LINUX -D__INTEL -D__FFTW \
|
CPMACRO=-D__LINUX -D__INTEL -D__FFTW \
|
||||||
-DSWAP=dswap -DAXPY=daxpy -DSCAL=dscal -DCOPY=dcopy -DGEMM=dgemm \
|
|
||||||
-D"fftwnd_f77_one=fftwnd_f77_one_" \
|
-D"fftwnd_f77_one=fftwnd_f77_one_" \
|
||||||
-D"fftw3d_f77_create_plan=fftw3d_f77_create_plan_" \
|
-D"fftw3d_f77_create_plan=fftw3d_f77_create_plan_" \
|
||||||
-D"fftw_f77=fftw_f77_" \
|
-D"fftw_f77=fftw_f77_" \
|
||||||
|
|
|
@ -9,7 +9,7 @@
|
||||||
# --- Change Variables according to your system --- #
|
# --- Change Variables according to your system --- #
|
||||||
|
|
||||||
# ** Preprocessor Macro **
|
# ** Preprocessor Macro **
|
||||||
CPMACRO=-D__SGI -D__ORIGIN -D__MPI -D__PARA -D__FFTW -DSWAP=dswap -DAXPY=daxpy -DSCAL=dscal -DCOPY=dcopy -DGEMM=dgemm
|
CPMACRO=-D__SGI -D__ORIGIN -D__MPI -D__PARA -D__FFTW
|
||||||
|
|
||||||
CPUTYPE=-r14000
|
CPUTYPE=-r14000
|
||||||
|
|
||||||
|
|
|
@ -8,7 +8,7 @@
|
||||||
# --- Change Variables according to your system --- #
|
# --- Change Variables according to your system --- #
|
||||||
|
|
||||||
# Macro
|
# Macro
|
||||||
CPMACRO=-D__MPI -D__PARA -D__FFTW -DSWAP=dswap -DAXPY=daxpy -DSCAL=dscal -DCOPY=dcopy -DGEMM=dgemm
|
CPMACRO=-D__MPI -D__PARA -D__FFTW
|
||||||
# CPMACRO=-D__QSW
|
# CPMACRO=-D__QSW
|
||||||
#
|
#
|
||||||
CPUTYPE=ev67
|
CPUTYPE=ev67
|
||||||
|
|
|
@ -8,8 +8,7 @@
|
||||||
# --- Change Variables according to your system --- #
|
# --- Change Variables according to your system --- #
|
||||||
|
|
||||||
# ** Preprocessor Macro **
|
# ** Preprocessor Macro **
|
||||||
CPMACRO=-D__SX4 \
|
CPMACRO=-D__SX4
|
||||||
-DSWAP=sswap -DAXPY=saxpy -DSCAL=sscal -DCOPY=scopy -DGEMM=sgemm
|
|
||||||
#
|
#
|
||||||
######################################################################
|
######################################################################
|
||||||
# *** Usually you don't need to edit variables below this line **** #
|
# *** Usually you don't need to edit variables below this line **** #
|
||||||
|
|
|
@ -11,7 +11,7 @@
|
||||||
# Uncomment to use benchlib
|
# Uncomment to use benchlib
|
||||||
# BENCHLIB= -L /a/acv0/bnchlib/ -l _scalar -l _vect -l _ereg
|
# BENCHLIB= -L /a/acv0/bnchlib/ -l _scalar -l _vect -l _ereg
|
||||||
#
|
#
|
||||||
CPMACRO=-D__CRAY -D__PARA -D__MPI -DSWAP=dswap,-DAXPY=daxpy,-DSCAL=dscal,-DCOPY=dcopy,-DGEMM=dgemm
|
CPMACRO=-D__CRAY -D__PARA -D__MPI
|
||||||
BENCHLIB=
|
BENCHLIB=
|
||||||
#
|
#
|
||||||
######################################################################
|
######################################################################
|
||||||
|
|
Loading…
Reference in New Issue