X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fmake_ensemble1.F;h=5402f2c3b2d12a0a64032e7af591d250786f1540;hb=95abe93df3a12f9cf8d94b2ed69c14cc4b3363e0;hp=e9c07541e7cbd39f83d857674b918d6f3671ccf7;hpb=62a2778d80b51198f1240d5deccabcb44466dc08;p=unres.git diff --git a/source/wham/src/make_ensemble1.F b/source/wham/src/make_ensemble1.F index e9c0754..5402f2c 100644 --- a/source/wham/src/make_ensemble1.F +++ b/source/wham/src/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)