TREX/irpjast
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Fixed a few bugs.

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This commit is contained in:
vijay gopal chilkuri 2021-03-08 22:16:50 +01:00
parent 84ad1a4927
commit 3172bbbb5c
3 changed files with 4 additions and 35 deletions
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2
Makefile
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@ -1,4 +1,4 @@
IRPF90 = irpf90 --codelet=jastrow_full:1000 #-s nelec:10 -s nnuc:2 -s ncord:5 #-a -d
IRPF90 = irpf90 --codelet=factor_een_blas:1000 #-s nelec:10 -s nnuc:2 -s ncord:5 #-a -d
FC = ifort -xHost -g -mkl=sequential
FCFLAGS= -O2 -ffree-line-length-none -I .
NINJA = ninja

29
codelet_factor_een.f
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@ -1,29 +0,0 @@
program codelet_factor_een
implicit none
integer :: i
double precision :: ticks_0, ticks_1, cpu_0, cpu_1
integer, parameter :: irp_imax = 100000
call provide_factor_een
double precision :: irp_rdtsc
call cpu_time(cpu_0)
ticks_0 = irp_rdtsc()
do i=1,irp_imax
call bld_factor_een
enddo
ticks_1 = irp_rdtsc()
call cpu_time(cpu_1)
print *, 'factor_een'
print *, '-----------'
print *, 'Cycles:'
print *, (ticks_1-ticks_0)/dble(irp_imax)
print *, 'Seconds:'
print *, (cpu_1-cpu_0)/dble(irp_imax)
end

8
el_nuc_el_blas.irp.f
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@ -28,7 +28,7 @@
enddo
END_PROVIDER
END_PROVIDER
BEGIN_PROVIDER [ double precision, factor_een_blas ]
@ -41,13 +41,12 @@
integer :: i, j, a, p, k, l, lmax, m, n
double precision :: accu
double precision,dimension(:),allocatable :: cn
allocate(cn(ncord))
double precision :: cn(ncord)
factor_een_blas = 0.0d0
factor_een_deriv_e_blas(1:4,1:nelec) = 0.0d0
TOUCH tmp_c dtmp_c
PROVIDE tmp_c dtmp_c
do n = 1, dim_cord_vect
@ -88,5 +87,4 @@
enddo
enddo
deallocate(cn)
END_PROVIDER