/* method to check if pepc parameters are entered into checked FCS */
FCSResult fcs_pepc_check(FCS handle)
{
const fcs_float *a,*b,*c;
fcs_float eps, theta;
FCSResult res;
if ((res = fcs_pepc_get_epsilon(handle, &eps))) return res;
if (eps == -1.0)
return fcs_result_create(FCS_ERROR_MISSING_ELEMENT, __func__, "pepc: epsilon not set");
if ((res = fcs_pepc_get_theta(handle, &theta))) return res;
if (theta == -1.0)
return fcs_result_create(FCS_ERROR_MISSING_ELEMENT, __func__, "pepc: theta not set");
a = fcs_get_box_a(handle);
b = fcs_get_box_b(handle);
c = fcs_get_box_c(handle);
if (!fcs_uses_principal_axes(a,b,c))
printf("%s\n", "WARNING: support of pepc for non-cubic simulation boxes currently is experimental.");
if (!fcs_get_near_field_flag(handle))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"pepc performs near field computations by itself!");
return FCS_RESULT_SUCCESS;
}
FCSResult fcs_fmm_check(FCS handle)
{
const fcs_float *a,*b,*c;
const fcs_int *periodicity;
int i,p;
fcs_int absrel;
fcs_fmm_get_absrel(handle, &absrel);
if (absrel == -1)
return fcs_result_create(FCS_ERROR_MISSING_ELEMENT, __func__, "fmm: absrel not set");
fcs_float deltaE;
fcs_fmm_get_deltaE(handle, &deltaE);
if (deltaE == -1.0)
return fcs_result_create(FCS_ERROR_MISSING_ELEMENT, __func__, "fmm: deltaE not set");
a = fcs_get_box_a(handle);
b = fcs_get_box_b(handle);
c = fcs_get_box_c(handle);
periodicity = fcs_get_periodicity(handle);
p = 0;
for (i = 0; i < 3; ++i)
if (periodicity[i]) p++;
switch(p)
{
case 0:
return FCS_RESULT_SUCCESS;
case 1:
for (i = 0; i < 3; ++i)
if (periodicity[i]) break;
switch(i)
{
case 0:
if (!( (fcs_norm(a) >= fcs_norm(b)) && (fcs_norm(a) >= fcs_norm(c)) ))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: longest box vector not in direction of 1D-periodicity direction");
return FCS_RESULT_SUCCESS;
case 1:
if (!( (fcs_norm(b) >= fcs_norm(a)) && (fcs_norm(b) >= fcs_norm(a)) ))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: longest box vector not in direction of 1D-periodicity direction");
return FCS_RESULT_SUCCESS;
case 2:
if (!( (fcs_norm(c) >= fcs_norm(a)) && (fcs_norm(c) >= fcs_norm(b)) ))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: longest box vector not in direction of 1D-periodicity direction");
return FCS_RESULT_SUCCESS;
}
case 2:
for (i = 0; i < 3; ++i)
if (!periodicity[i]) break;
switch(i)
{
case 0:
if (!( (fcs_float_is_equal(fcs_norm(b),fcs_norm(c))) && (fcs_norm(b) >= fcs_norm(a)) ))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: longest box vector not in direction of 2D-periodicity direction");
return FCS_RESULT_SUCCESS;
case 1:
if (!( (fcs_float_is_equal(fcs_norm(a),fcs_norm(c))) && (fcs_norm(a) >= fcs_norm(b)) ))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: longest box vector not in direction of 2D-periodicity direction");
return FCS_RESULT_SUCCESS;
case 2:
if (!( (fcs_float_is_equal(fcs_norm(a),fcs_norm(b))) && (fcs_norm(a) >= fcs_norm(c)) ))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: longest box vector not in direction of 2D-periodicity direction");
return FCS_RESULT_SUCCESS;
}
case 3:
if (!(fcs_uses_principal_axes(a,b,c)))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__, "fmm: cannot use a non-cubic system in 3D-periodicity");
return FCS_RESULT_SUCCESS;
}
return FCS_RESULT_SUCCESS;
}
/* method to check if fmm parameters are consistent with requirements */
FCSResult fcs_fmm_check(FCS handle, fcs_int local_particles)
{
const fcs_float *a,*b,*c;
fcs_float norm[3],period_length;
const fcs_int *periodicity;
MPI_Comm comm;
fcs_int total_particles;
int comm_size;
int i,p,ok;
fcs_int absrel;
fcs_fmm_get_absrel(handle, &absrel);
if (absrel == -1)
return fcs_result_create(FCS_ERROR_MISSING_ELEMENT, __func__, "fmm: absrel not set");
fcs_float tolerance_energy;
fcs_fmm_get_tolerance_energy(handle, &tolerance_energy);
if (tolerance_energy == -1.0)
return fcs_result_create(FCS_ERROR_MISSING_ELEMENT, __func__, "fmm: energy tolerance not set");
comm = fcs_get_communicator(handle);
MPI_Comm_size(comm, &comm_size);
total_particles = fcs_get_total_particles(handle);
if (total_particles < comm_size)
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__, "fmm: there have to be at least as much particles as processes");
if (local_particles <= 0)
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__, "fmm: each process has to receive at least one particle");
a = fcs_get_box_a(handle);
norm[0] = fcs_norm(a);
b = fcs_get_box_b(handle);
norm[1] = fcs_norm(b);
c = fcs_get_box_c(handle);
norm[2] = fcs_norm(c);
periodicity = fcs_get_periodicity(handle);
p = 0; ok = 1;
for (i = 0; i < 3; ++i)
if (periodicity[i])
{
if (0==p)
period_length = norm[i];
else
ok = ok && fcs_float_is_equal( period_length, norm[i] );
p++;
}
if (p && !(fcs_uses_principal_axes(a,b,c)))
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: with periodic boundaries, box must be arranged along principle axes");
if (p && !ok)
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: all periodic directions must have equal length");
if (p && (p<3))
{
ok = 1;
for (i = 0; i < 3; ++i)
if (!periodicity[i])
ok = ok && (norm[i] <= period_length);
if (!ok)
return fcs_result_create(FCS_ERROR_INCOMPATIBLE_METHOD, __func__,
"fmm: axes in non-periodic directions must not be longer than periodic ones");
}
return FCS_RESULT_SUCCESS;
}
extern FCSResult fcs_vmg_check(FCS handle)
{
char fnc_name[] = "fcs_vmg_check";
FCSResult result;
fcs_int max_level;
result = fcs_vmg_get_max_level(handle, &max_level);
if (result != NULL)
return result;
if (max_level == -1)
return fcsResult_create(FCS_MISSING_ELEMENT, fnc_name, "vmg finest level not set.");
if (max_level < 3)
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg finest level must be greater than 2.");
fcs_int max_iterations;
result = fcs_vmg_get_max_iterations(handle, &max_iterations);
if (result != NULL)
return result;
if (max_iterations == -1)
return fcsResult_create(FCS_MISSING_ELEMENT, fnc_name, "vmg maximum number of iterations not set.");
if (max_iterations < 1)
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg maximum number of iterations must be positive.");
fcs_int smoothing_steps;
result = fcs_vmg_get_smoothing_steps(handle, &smoothing_steps);
if (result != NULL)
return result;
if (smoothing_steps == -1)
return fcsResult_create(FCS_MISSING_ELEMENT, fnc_name, "vmg number of smoothing steps not set.");
if (smoothing_steps < 1)
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg number of smoothing steps must be positive.");
fcs_int cycle_type;
result = fcs_vmg_get_cycle_type(handle, &cycle_type);
if (result != NULL)
return result;
if (cycle_type == -1)
return fcsResult_create(FCS_MISSING_ELEMENT, fnc_name, "vmg cycle number not set.");
if (cycle_type < 1)
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg cycle number must be positive.");
fcs_float precision;
result = fcs_vmg_get_precision(handle, &precision);
if (result != NULL)
return result;
if (precision == -1.)
return fcsResult_create(FCS_MISSING_ELEMENT, fnc_name, "vmg desired precision not set.");
fcs_int near_field_cells;
result = fcs_vmg_get_near_field_cells(handle, &near_field_cells);
if (result != NULL)
return result;
if (near_field_cells == -1)
return fcsResult_create(FCS_MISSING_ELEMENT, fnc_name, "vmg number of near field cells not set.");
if (near_field_cells < 1)
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg number of near field cells must be positive.");
fcs_int interpolation_order;
result = fcs_vmg_get_interpolation_order(handle, &interpolation_order);
if (result != NULL)
return result;
if (interpolation_order == -1)
return fcsResult_create(FCS_MISSING_ELEMENT, fnc_name, "vmg interpolation order not set.");
if (interpolation_order < 3)
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg interpolation order must be greater or equal three.");
fcs_int discretization_order;
result = fcs_vmg_get_discretization_order(handle, &discretization_order);
if (result != NULL)
return result;
if (discretization_order == -1)
return fcsResult_create(FCS_MISSING_ELEMENT, fnc_name, "vmg discretization order not set.");
if (discretization_order != 2 && discretization_order != 4)
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg discretization order must be 2 or 4.");
fcs_float* box_a = fcs_get_box_a(handle);
fcs_float* box_b = fcs_get_box_b(handle);
fcs_float* box_c = fcs_get_box_c(handle);
if (!fcs_is_cubic(box_a, box_b, box_c))
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg requires the box to be cubic.");
if (!fcs_uses_principal_axes(box_a, box_b, box_c))
return fcsResult_create(FCS_LOGICAL_ERROR, fnc_name, "vmg requires the box vectors to be parallel to the principal axes.");
return NULL;
}
