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Fix to MPI-mode use of Brilliance Transfer calculation. #2300

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Merged
willend merged 1 commit into from
Jan 30, 2026
Merged

Fix to MPI-mode use of Brilliance Transfer calculation. #2300

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93 changes: 50 additions & 43 deletions mcstas-comps/examples/Templates/BTsimple/BTsimple.instr
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Original file line number Diff line number Diff line change
Expand Up @@ -27,30 +27,34 @@
* gm: [1] M-value of the guide coating
* delta1: [m] Optional focal displacement of guide wrt source
* delta2: [m] Optional focal displacement of guide wrt sample position
* Nbins: [1] Number of bins on Wavelength / Brilliance transfer monitors
*
* %L
*
* %E
*******************************************************************************/
DEFINE INSTRUMENT BTsimple(lambda=10, dlambda=9.9, maxhd=3, maxvd=3, gw=0.1, gh=0.1, gL=50, gm=6, delta1=0, delta2=0)
DEFINE INSTRUMENT BTsimple(lambda=10, dlambda=9.9, maxhd=3, maxvd=3, gw=0.1, gh=0.1, gL=50, gm=6, delta1=0, delta2=0, int Nbins=101)

DECLARE
%{
/* Arrays for storing the calculated brilliance transfer */
double BT_N[101];
double BT_p[101];
double BT_p2[101];
/* Arrays for storing the calculated brilliance transfer */
DArray1d BT_N;
DArray1d BT_p;
DArray1d BT_p2;
%}

USERVARS
%{
/* Variables for calculation of neutron divergence */
double VertDiv;
double HorDiv;
/* Variables for calculation of neutron divergence */
double VertDiv;
double HorDiv;
%}

INITIALIZE
%{
BT_N = create_darr1d(Nbins);
BT_p = create_darr1d(Nbins);
BT_p2 = create_darr1d(Nbins);
%}

TRACE
Expand Down Expand Up @@ -84,7 +88,7 @@ EXTEND %{
%}

/* Measure incoming phase-space */
COMPONENT BT_in = L_monitor(xwidth=0.02, yheight=0.02, filename="BT_in.dat",Lmin=lambda-dlambda, Lmax=lambda+dlambda, nL=101, restore_neutron=1)
COMPONENT BT_in = L_monitor(xwidth=0.02, yheight=0.02, filename="BT_in.dat",Lmin=lambda-dlambda, Lmax=lambda+dlambda, nL=Nbins, restore_neutron=1)
WHEN ((VertDiv <= maxvd) && (HorDiv <= maxhd)) AT (0,0,2.0) RELATIVE origin


Expand Down Expand Up @@ -121,7 +125,7 @@ EXTEND %{
%}

/* Measure outgoing phase-space @ sample position */
COMPONENT BT_out = L_monitor(xwidth=0.02, yheight=0.02, filename="BT_out.dat",Lmin=lambda-dlambda, Lmax=lambda+dlambda, nL=101, restore_neutron=1)
COMPONENT BT_out = L_monitor(xwidth=0.02, yheight=0.02, filename="BT_out.dat",Lmin=lambda-dlambda, Lmax=lambda+dlambda, nL=Nbins, restore_neutron=1)
WHEN ((VertDiv <= maxvd) && (HorDiv <= maxhd)) AT (0,0,2.0+gL) RELATIVE guide


Expand All @@ -138,47 +142,50 @@ AT (0,0,0) RELATIVE PREVIOUS
FINALLY
%{
/* This adds another "monitor" that measures BT_out / BT_in */
/* In MPI-mode renormalisation by mpi_node_count needs doing */
int j;
double* tmpN;
double* tmpp1;
double* tmpp2;
double* tmpd1;
double* tmpd2;
tmpN =COMP_GETPAR(BT_out,L_N);
tmpp1=COMP_GETPAR(BT_in, L_p);
tmpp2=COMP_GETPAR(BT_out,L_p);
tmpd1=COMP_GETPAR(BT_in, L_p2);
tmpd2=COMP_GETPAR(BT_out,L_p2);
for (j=0;j<101;j++) {
/* In MPI-mode do the calculation on master only. */
#ifdef USE_MPI
if(mpi_node_rank == mpi_node_root) {
#endif
int j;
double* tmpN;
double* tmpp1;
double* tmpp2;
double* tmpd1;
double* tmpd2;
tmpN =COMP_GETPAR(BT_out,L_N);
tmpp1=COMP_GETPAR(BT_in, L_p);
tmpp2=COMP_GETPAR(BT_out,L_p);
tmpd1=COMP_GETPAR(BT_in, L_p2);
tmpd2=COMP_GETPAR(BT_out,L_p2);

BT_N[j]=tmpN[j];
if (tmpp1[j] != 0) {
BT_p[j]=tmpp2[j]/tmpp1[j];
} else {
BT_p[j]=0;
for (j=0;j<Nbins;j++) {
BT_N[j]=tmpN[j];
if (tmpp1[j] != 0) {
BT_p[j]=tmpp2[j]/tmpp1[j];
} else {
BT_p[j]=0;
}
if ((tmpp1[j] != 0) && (tmpp2[j] != 0)) {
BT_p2[j]=sqrt((tmpd1[j]/tmpp1[j])*(tmpd1[j]/tmpp1[j]) + (tmpd2[j]/tmpp2[j])*(tmpd2[j]/tmpp2[j]));
} else
BT_p2[j]=0;
}
if ((tmpp1[j] != 0) && (tmpp2[j] != 0)) {
BT_p2[j]=sqrt((tmpd1[j]/tmpp1[j])*(tmpd1[j]/tmpp1[j]) + (tmpd2[j]/tmpp2[j])*(tmpd2[j]/tmpp2[j]));
} else
BT_p2[j]=0;
#if defined (USE_MPI)
BT_p[j] /= mpi_node_count;
BT_p2[j] /= mpi_node_count;
#endif

#ifdef USE_MPI
}
// Non-master MPI nodes wait here before we write the file to disk
MPI_Barrier(MPI_COMM_WORLD);
#endif
// we can not call the DETECTOR_OUT_1D as it transparently makes use of
// NAME_CURRENT_COMP and POS_A_CURRENT_COMP, which are set to match '_comp'
Rotation Rot;
rot_set_rotation(Rot,0,0,0);
mcdetector_out_1D(
"Brilliance transfer",
"Wavelength [AA]",
"BT",
"L", lambda-dlambda, lambda+dlambda, 101,
&BT_N[0],&BT_p[0],&BT_p2[0],
"Brilliance_transfer", "BTransfer", coords_set(0,0,0),Rot,9999);
"Brilliance transfer",
"Wavelength [AA]",
"BT",
"L", lambda-dlambda, lambda+dlambda, Nbins,
&BT_N[0],&BT_p[0],&BT_p2[0],
"Brilliance_transfer", "BTransfer", coords_set(0,0,0),Rot,9999);

%}

Expand Down