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[unres.git]
/
source
/
unres
/
src_MD-M
/
together.F
diff --git
a/source/unres/src_MD-M/together.F
b/source/unres/src_MD-M/together.F
index
2117e93
..
3b0cd3f
100644
(file)
--- a/
source/unres/src_MD-M/together.F
+++ b/
source/unres/src_MD-M/together.F
@@
-80,7
+80,8
@@
c ntrial : number of trial conformations per seed.
c ntry : total number of trial conformations including seed conformations.
idum2=-123
c ntry : total number of trial conformations including seed conformations.
idum2=-123
- imax=2**31-1
+c imax=2**31-1
+ imax=huge(0)
ENDIF
call mpi_bcast(jend,1,mpi_integer,0,CG_COMM,ierr)
ENDIF
call mpi_bcast(jend,1,mpi_integer,0,CG_COMM,ierr)
@@
-809,7
+810,7
@@
c receives and stores data from soldiers
include 'COMMON.CONTACTS'
dimension ind(9),xout(maxvar),eout(mxch*(mxch+1)/2+1)
cjlee
include 'COMMON.CONTACTS'
dimension ind(9),xout(maxvar),eout(mxch*(mxch+1)/2+1)
cjlee
- double precision przes(3),obr(3,3)
+ double precision przes(3),obr(3,3),cout(2)
logical non_conv
cjlee
iw_pdb=2
logical non_conv
cjlee
iw_pdb=2
@@
-1212,7
+1213,7
@@
c----------------------------------------------------------
include 'DIMENSIONS'
include 'COMMON.IOUNITS'
include 'DIMENSIONS'
include 'COMMON.IOUNITS'
-#if defined(AIX) || defined(PGI)
+#if defined(AIX) || defined(PGI) || defined(CRAY)
open(icsa_history,file=csa_history,position="append")
#else
open(icsa_history,file=csa_history,access="append")
open(icsa_history,file=csa_history,position="append")
#else
open(icsa_history,file=csa_history,access="append")