From 04ede5ddf1d989e27665c140f94fa0132c5d4381 Mon Sep 17 00:00:00 2001
From: s2006749 <s2006749@ed.ac.uk>
Date: Wed, 16 Oct 2024 14:34:06 +0100
Subject: [PATCH] added output of forces (although zero) at first timestep.
Won't output at second for some reason
---
src/forces.f90 | 17 +++++++++++++++++
1 file changed, 17 insertions(+)
diff --git a/src/forces.f90 b/src/forces.f90
index 044673aa..f59c6329 100644
--- a/src/forces.f90
+++ b/src/forces.f90
@@ -457,6 +457,8 @@ contains
if ((nrank .eq. 0).and.(record_var.eq.1)) then
write(filename,"('forces.dat',I1.1)") iv
open(38+(iv-1),file=filename,status='unknown',form='formatted')
+ write(38+(iv-1),*) t, zero, zero, zero, zero, zero, zero, zero, zero, zero, zero, zero
+ call flush(38+(iv-1))
! write(*,*) 'Opened file: ', filename, 'number = ', 38+(iv-1)
endif
enddo
@@ -471,6 +473,12 @@ contains
enddo
return
elseif (itime.eq.2) then
+ if ((nrank .eq. 0).and.(record_var.eq.1)) then
+ do i = 1,nvol
+ write(38+(iv-1),*) t, zero, zero, zero, zero, zero, zero, zero, zero, zero, zero, zero
+ call flush(38+(iv-1))
+ enddo
+ endif
do k = 1, xsize(3)
do j = 1, xsize(2)
do i = 1, xsize(1)
@@ -1163,6 +1171,8 @@ contains
if ((nrank .eq. 0).and.(record_var.eq.1)) then
write(filename,"('torques.dat',I1.1)") iv
open(45+(iv-1),file=filename,status='unknown',form='formatted')
+ write(45+(iv-1),*) t, zero, zero, zero, zero, zero, zero, zero, zero, zero, zero, zero
+ call flush(45+(iv-1))
! write(*,*) 'Opened file: ', filename, 'number = ', 38+(iv-1)
endif
if ((nrank.eq.0).and.(torq_debug.eq.1).and.(iv.eq.1)) then
@@ -1188,6 +1198,13 @@ contains
enddo
return
elseif (itime.eq.2) then
+ if ((nrank .eq. 0).and.(record_var.eq.1)) then
+ do i = 1,nvol
+ ! write(*,*) "TRYING TO WRITE AT ITIME=2, t = ", t
+ write(45+(iv-1),*) t, zero, zero, zero, zero, zero, zero, zero, zero, zero, zero, zero
+ call flush(45+(iv-1))
+ enddo
+ endif
do k = 1, xsize(3)
do j = 1, xsize(2)
do i = 1, xsize(1)
--
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