X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fcxread.F;h=65372e329191669458c67a09cd1b5f417312dddc;hb=e6c9d7374a2bc8cc32c886706d94997d8539ad37;hp=7bb2f6a84757a38e6334904b50c159db6fcc40b1;hpb=a0c1a6d3c5bfd023b9c62854d2448e41d35f0a57;p=unres.git diff --git a/source/wham/src/cxread.F b/source/wham/src/cxread.F index 7bb2f6a..65372e3 100644 --- a/source/wham/src/cxread.F +++ b/source/wham/src/cxread.F @@ -54,14 +54,21 @@ c print *,"bumbum" do while (iret.gt.0) #if (defined(AIX) && !defined(JUBL)) +#ifdef DEBUG + write (iout,*) "ii",ii," itraj",itraj," it",it +#endif call xdrffloat_(ixdrf, rtime, iret) -c print *,"rtime",rtime," iret",iret call xdrffloat_(ixdrf, rpotE, iret) -c write (iout,*) "rpotE",rpotE," iret",iret +#ifdef DEBUG + write (iout,*) "rtime",rtime," rpotE",rpotE," iret",iret +#endif call flush(iout) call xdrffloat_(ixdrf, ruconst, iret) call xdrffloat_(ixdrf, rt_bath, iret) call xdrfint_(ixdrf, nss, iret) +#ifdef DEBUG + write (iout,*) "ruconst",ruconst," rt_bath",rt_bath," nss",nss +#endif do j=1,nss call xdrfint_(ixdrf, ihpb(j), iret) call xdrfint_(ixdrf, jhpb(j), iret) @@ -73,13 +80,21 @@ c write (iout,*) "rpotE",rpotE," iret",iret call xdrffloat_(ixdrf, rprop(i), iret) enddo #else +#ifdef DEBUG + write (iout,*) "ii",ii," itraj",itraj," it",it +#endif call xdrffloat(ixdrf, rtime, iret) call xdrffloat(ixdrf, rpotE, iret) -c write (iout,*) "rpotE",rpotE," iret",iret +#ifdef DEBUG + write (iout,*) "rtime",rtime," rpotE",rpotE," iret",iret +#endif call flush(iout) call xdrffloat(ixdrf, ruconst, iret) call xdrffloat(ixdrf, rt_bath, iret) call xdrfint(ixdrf, nss, iret) +#ifdef DEBUG + write (iout,*) "ruconst",ruconst," rt_bath",rt_bath," nss",nss +#endif do j=1,nss call xdrfint(ixdrf, ihpb(j), iret) call xdrfint(ixdrf, jhpb(j), iret) @@ -102,9 +117,6 @@ c write (iout,*) "nprop",nprop #endif if (iret.eq.0) exit itraj=mod(it,totraj(iR,iparm)) -#ifdef DEBUG - write (iout,*) "ii",ii," itraj",itraj," it",it -#endif if (iset.eq.0) iset = 1 call flush(iout) it=it+1