X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=fa5cf667bcb1edcd66109c556575c9d5200108e2;hp=84cf3fd5e9b06f571f951cf9377b3878cbb3e1d4;hb=0c5fb524ca994d617a32adfb678302e2f3dcef1e;hpb=ffd0e6dcc64b1ef30773e02b4ef72c1b2455fea5 diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index 84cf3fd..fa5cf66 100644 --- a/source/unres/src_MD-M/DIMENSIONS +++ b/source/unres/src_MD-M/DIMENSIONS @@ -6,17 +6,17 @@ ******************************************************************************** C Max. number of processors. integer maxprocs - parameter (maxprocs=2048) + parameter (maxprocs=1028) C Max. number of fine-grain processors integer max_fg_procs c parameter (max_fg_procs=maxprocs) - parameter (max_fg_procs=512) + parameter (max_fg_procs=256) C Max. number of coarse-grain processors integer max_cg_procs parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres - parameter (maxres=800) + parameter (maxres=600) C Appr. max. number of interaction sites integer maxres2,maxres6,mmaxres2 parameter (maxres2=2*maxres,maxres6=6*maxres) @@ -95,7 +95,7 @@ C Max. number of conformations in the pool parameter (max_pool=10) C Number of energy components integer n_ene,n_ene2 - parameter (n_ene=21,n_ene2=2*n_ene) + parameter (n_ene=22,n_ene2=2*n_ene) C Number of threads in deformation integer max_thread,max_thread2 parameter (max_thread=4,max_thread2=2*max_thread)