// This should never happen, but I'll handle it in case it does
void IMDSimBlocking::process_mdcomm(int32 length) {
int32 *ind = new int32[length];
float *f = new float[3*length];
if (imd_recv_mdcomm(sock, length, ind, f)) {
msgErr << "Error reading MDComm-style forces!" << sendmsg;
disconnect();
}
delete [] ind;
delete [] f;
}
void IMD::receive(){
if(!connected) return;
if(clientsock){
IMDType type;
int length;
int itype;
while (vmdsock_selread(clientsock,0) > 0) {
type = imd_recv_header(clientsock, &length);
if(type==IMD_MDCOMM){
int32* vmd_atoms = new int32[length];
float* vmd_forces = new float[3*length];
imd_recv_mdcomm(clientsock, length, vmd_atoms, vmd_forces);
for(int i=0;i<length;i++){
forces[3*vmd_atoms[i]+0]=vmd_forces[3*i+0];
forces[3*vmd_atoms[i]+1]=vmd_forces[3*i+1];
forces[3*vmd_atoms[i]+2]=vmd_forces[3*i+2];
}
delete [] vmd_atoms;
delete [] vmd_forces;
itype=0;
comm.Bcast(&itype,1,0);
comm.Bcast(&forces[0],forces.size(),0);
}else if(type==IMD_DISCONNECT){
vmdsock_destroy(clientsock);
clientsock=NULL;
for(unsigned i=0;i<forces.size();i++) forces[i]=0.0;
connected=false;
itype=1;
comm.Bcast(&itype,1,0);
break;
}else if(type==IMD_TRATE){
if(length<1) length=1;
itype=2;
log.printf("IMD: setting transfer rate to %d\n",length);
transferRate=length;
comm.Bcast(&itype,1,0);
comm.Bcast(&transferRate,1,0);
}else if(type==IMD_KILL){
log.printf("IMD: killing simulation\n");
itype=3;
comm.Bcast(&itype,1,0);
plumed.exit();
}
}
itype=-1;
comm.Bcast(&itype,1,0);
}
if(comm.Get_rank()!=0){
int itype;
while(true){
comm.Bcast(&itype,1,0);
if(itype==-1)break;
else if(itype==0) comm.Bcast(&forces[0],forces.size(),0);
else if(itype==1) {
for(unsigned i=0;i<forces.size();i++) forces[i]=0.0;
connected=false;
}
else if(itype==2) comm.Bcast(&transferRate,1,0);
else if(itype==3) plumed.exit();
else plumed_error();
}
}
}
