X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2Ftogether.F;h=3b0cd3f52084ea113722da58dc07b731651d95a0;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=2117e93d89967dddbe3f6af739cc89fe4ac81481;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD-M/together.F b/source/unres/src_MD-M/together.F index 2117e93..3b0cd3f 100644 --- 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 - imax=2**31-1 +c imax=2**31-1 + imax=huge(0) 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 - double precision przes(3),obr(3,3) + double precision przes(3),obr(3,3),cout(2) logical non_conv cjlee iw_pdb=2 @@ -1212,7 +1213,7 @@ c---------------------------------------------------------- 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")