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authorThomas White <taw@physics.org>2018-02-27 15:14:26 +0100
committerThomas White <taw@physics.org>2018-02-27 17:12:42 +0100
commit1ebf2772e92a4f9344f9dca456abf8c30be731d2 (patch)
tree88bfd466928befb51b818736b1e41e0e5e1623f1
parent5a8c9a183d2412c7bfda942dda56b2561bc67edb (diff)
Write spectra and grid scans after every iteration, and also before the first and at end
Also, do it in parallel.
-rw-r--r--src/partialator.c78
-rw-r--r--src/post-refinement.c8
2 files changed, 80 insertions, 6 deletions
diff --git a/src/partialator.c b/src/partialator.c
index 3b489d74..4c9ad1c1 100644
--- a/src/partialator.c
+++ b/src/partialator.c
@@ -767,6 +767,79 @@ static void dump_parameters(const char *filename, Crystal **crystals,
}
+struct log_qargs
+{
+ int iter;
+ int next;
+ Crystal **crystals;
+ int n_crystals;
+ RefList *full;
+};
+
+
+struct log_args
+{
+ Crystal *cr;
+ RefList *full;
+ int iter;
+ int cnum;
+};
+
+
+static void *get_log_task(void *vp)
+{
+ struct log_qargs *qargs = vp;
+ struct log_args *task;
+
+ if ( qargs->next >= qargs->n_crystals ) return NULL;
+
+ task = malloc(sizeof(struct log_args));
+ if ( task == NULL ) return NULL;
+
+ task->cr = qargs->crystals[qargs->next];
+ task->full = qargs->full;
+ task->iter = qargs->iter;
+ task->cnum = qargs->next;
+
+ qargs->next += 20;
+ return task;
+}
+
+
+static void write_logs(void *vp, int cookie)
+{
+ struct log_args *args = vp;
+ write_specgraph(args->cr, args->full, args->iter, args->cnum);
+ write_gridscan(args->cr, args->full, args->iter, args->cnum);
+}
+
+
+static void done_log(void *qargs, void *vp)
+{
+ struct log_args *task = vp;
+ free(task);
+}
+
+
+static void write_logs_parallel(Crystal **crystals, int n_crystals,
+ RefList *full, int iter, int n_threads)
+{
+ struct log_qargs qargs;
+
+
+ qargs.iter = iter;
+ qargs.next = 0;
+ qargs.full = full;
+ qargs.crystals = crystals;
+ qargs.n_crystals = n_crystals;
+
+ STATUS("Writing logs...\n");
+ run_threads(n_threads, write_logs, get_log_task, done_log, &qargs,
+ n_crystals/20, 0, 0, 0);
+ STATUS("Done.\n");
+}
+
+
int main(int argc, char *argv[])
{
int c;
@@ -1190,6 +1263,7 @@ int main(int argc, char *argv[])
check_rejection(crystals, n_crystals, full, max_B);
show_all_residuals(crystals, n_crystals, full);
write_pgraph(full, crystals, n_crystals, 0, "");
+ write_logs_parallel(crystals, n_crystals, full, 0, nthreads);
/* Iterate */
for ( i=0; i<n_iter; i++ ) {
@@ -1262,9 +1336,7 @@ int main(int argc, char *argv[])
/* Write final figures of merit (no rejection any more) */
show_all_residuals(crystals, n_crystals, full);
write_pgraph(full, crystals, n_crystals, -1, "");
- for ( i=0; i<n_crystals; i+=20 ) {
- write_specgraph(crystals[i], full, -1, i);
- }
+ write_logs_parallel(crystals, n_crystals, full, -1, nthreads);
/* Output results */
STATUS("Writing overall results to %s\n", outfile);
diff --git a/src/post-refinement.c b/src/post-refinement.c
index 68f72bf2..b2fbb537 100644
--- a/src/post-refinement.c
+++ b/src/post-refinement.c
@@ -709,9 +709,6 @@ static void do_pr_refine(Crystal *cr, const RefList *full,
char fn[64];
- write_gridscan(cr, full, cycle, serial);
- write_specgraph(cr, full, cycle, serial);
-
snprintf(fn, 63, "pr-logs/crystal%i-cycle%i.log", serial, cycle);
fh = fopen(fn, "w");
if ( fh != NULL ) {
@@ -830,6 +827,11 @@ static void do_pr_refine(Crystal *cr, const RefList *full,
ERROR("Bad refinement: crystal %i\n", serial);
}
+ if ( write_logs ) {
+ write_gridscan(cr, full, cycle, serial);
+ write_specgraph(cr, full, cycle, serial);
+ }
+
gsl_multimin_fminimizer_free(min);
gsl_vector_free(priv.initial);
gsl_vector_free(priv.vals);