Commit f0432125 authored by Tim Mattox's avatar Tim Mattox
Browse files

USER-DPD: fix a segfault when using constant temperature (DPD vs. DPDE)

parent 4342bcda

src/USER-DPD/fix_shardlow.cpp

+2 −1
Original line number Diff line number Diff line
@@ -570,8 +570,9 @@ void FixShardlow::initial_integrate(int vflag) 


  int maxWorkItemCt = np_ssa->ssa_maxPhaseLen;

  if (maxWorkItemCt > maxRNG) {

    uint64_t my_seed = comm->me + (useDPDE ? pairDPDE->seed : pairDPD->seed);

    es_RNG_t serial_rand_state;

    es_init(serial_rand_state, pairDPDE->seed + comm->me);

    es_init(serial_rand_state, my_seed);



    memory->grow(rand_state, maxWorkItemCt, "FixShardlow:rand_state");

    for (int i = 0; i < maxWorkItemCt; ++i) {

src/USER-DPD/pair_dpd_fdt.h

+1 −1
Original line number Diff line number Diff line
@@ -44,11 +44,11 @@ class PairDPDfdt : public Pair { 
  double **sigma;

  double temperature;



  int seed;

  class RanMars *random;



 protected:

  double cut_global;

  int seed;

  bool splitFDT_flag;

  bool a0_is_zero;

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