X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA%2Funres_csa.F;h=ce55133fd77ed2d1cd6f026a933681aa8203ea8c;hb=951f0fe4ce7a66542c398754524d8ae3d9b5dc5a;hp=f229a9a31ea7207002a2db4cc6e62d3d87e25ff6;hpb=e6be6f3432696603440b91ad5a5732214f003264;p=unres.git diff --git a/source/unres/src_CSA/unres_csa.F b/source/unres/src_CSA/unres_csa.F index f229a9a..ce55133 100644 --- a/source/unres/src_CSA/unres_csa.F +++ b/source/unres/src_CSA/unres_csa.F @@ -148,6 +148,7 @@ c include 'COMMON.MD' common /srutu/ icall double precision energy(0:n_ene) double precision energy_long(0:n_ene),energy_short(0:n_ene) + double precision varia(maxvar) if (indpdb.eq.0) call chainbuild c time00=MPI_Wtime() call chainbuild_cart @@ -266,8 +267,8 @@ c enddo totT=1.d0 eq_time=0.0d0 c call read_fragments - read(inp,*) t_bath - call rescale_weights(t_bath) +c read(inp,*) t_bath +c call rescale_weights(t_bath) call chainbuild_cart call cartprint call intout @@ -302,6 +303,7 @@ C This method works only with parallel machines! return end c--------------------------------------------------------------------------- +#ifdef MPI subroutine exec_mult_eeval_or_minim implicit real*8 (a-h,o-z) include 'DIMENSIONS' @@ -542,5 +544,13 @@ c Broadcast the order to compute internal coordinates to the slaves. enddo return end +#else + subroutine exec_mult_eeval_or_minim + include 'DIMENSIONS' + include 'COMMON.IOUNITS' + write (iout,*) "Unsupported option in serial version" + return + end +#endif c---------------------------------------------------------------------------