#include "mdrun.h"
#include "names.h"
#include "calcgrid.h"
-#include "gromacs/random/random.h"
#include "update.h"
#include "mdebin.h"
#define NOT_FINISHED(l1, l2) \
printf("not finished yet: lines %d .. %d in %s\n", l1, l2, __FILE__)
-void set_state_entries(t_state *state, const t_inputrec *ir, int nnodes)
+void set_state_entries(t_state *state, const t_inputrec *ir)
{
int nnhpres;
snew(state->cg_p, state->nalloc);
}
}
- if (EI_SD(ir->eI) || ir->eI == eiBD || ir->etc == etcVRESCALE || ETC_ANDERSEN(ir->etc))
- {
- state->nrng = gmx_rng_n();
- state->nrngi = 1;
- if (EI_SD(ir->eI) || ir->eI == eiBD || ETC_ANDERSEN(ir->etc))
- {
- /* This will be correct later with DD */
- state->nrng *= nnodes;
- state->nrngi *= nnodes;
- }
- state->flags |= ((1<<estLD_RNG) | (1<<estLD_RNGI));
- snew(state->ld_rng, state->nrng);
- snew(state->ld_rngi, state->nrngi);
- }
- else
- {
- state->nrng = 0;
- }
-
- if (ir->bExpanded)
- {
- state->nmcrng = gmx_rng_n();
- snew(state->mc_rng, state->nmcrng);
- snew(state->mc_rngi, 1);
- }
state->nnhpres = 0;
if (ir->ePBC != epbcNONE)
gmx_mtop_t *mtop)
{
bcast_ir_mtop(cr, inputrec, mtop);
-
- if (inputrec->eI == eiBD || EI_SD(inputrec->eI) || ETC_ANDERSEN(inputrec->etc))
- {
- /* Make sure the random seeds are different on each node */
- inputrec->ld_seed += cr->nodeid;
- }
}