X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fmake_ensemble1.F;h=b0fa8276bc930d75d40215ad98603cd9ff5b74e6;hb=af92d6e287b870d006a9eddd64db784679bbf10a;hp=5d7b750867c2f18493eb1fdd68c0875ba4c38b30;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/wham/src-M/make_ensemble1.F b/source/wham/src-M/make_ensemble1.F index 5d7b750..b0fa827 100644 --- a/source/wham/src-M/make_ensemble1.F +++ b/source/wham/src-M/make_ensemble1.F @@ -34,7 +34,7 @@ character*5 ctemper integer ilen external ilen - real*4 Fdimless(MaxStr) + real*4 Fdimless(MaxStr),Fdimless_(MaxStr) double precision enepot(MaxStr) integer iperm(MaxStr) integer islice @@ -184,7 +184,7 @@ c write (iout,*) 1.0d0/(beta_h(ib,iparm)*1.987D-3),ft & +wbond*estr #endif #ifdef MPI - Fdimless(i)= + Fdimless_(i)= & beta_h(ib,iparm)*etot-entfac(i) potE(i,iparm)=etot #ifdef DEBUG @@ -198,7 +198,7 @@ c write (iout,*) 1.0d0/(beta_h(ib,iparm)*1.987D-3),ft #endif enddo ! i #ifdef MPI - call MPI_Gatherv(Fdimless(1),scount(me), + call MPI_Gatherv(Fdimless_(1),scount(me), & MPI_REAL,Fdimless(1), & scount(0),idispl(0),MPI_REAL,Master, & WHAM_COMM, IERROR)