Swap matplotlib backend to fix plt.close freezes

simonlichtinger · Jan 27, 2023 · 735d9ea · 735d9ea
1 parent 56c60b7
commit 735d9ea
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diff --git a/PyMEMENTO/__init__.py b/PyMEMENTO/__init__.py
@@ -2,6 +2,12 @@
 
 import warnings
 
+# Using the pdf backend for matplotlib to avoid plot close freezing when doing memory intensive runs
+# Not sure at this stage whether this is a temporary bug in matplotlib, but it seems to fixthe problem and has no downside
+import matplotlib
+matplotlib.use('pdf')
+
+
 # Check whether Modeller is installed, if not, throw error and abort
 try:
     import modeller

diff --git a/PyMEMENTO/mc_path_sampling.py b/PyMEMENTO/mc_path_sampling.py
@@ -200,7 +200,7 @@ def run_monte_carlo(
         plt.ylabel("Energy proxy for path RMSD of RMSDs")
         plt.xlabel("MC step")
         plt.savefig(local_path + "trajectory.pdf")
-        plt.clf()
+        plt.close()
 
         # Write full trajectory and energies to file
         np.savetxt(local_path + "mc_energies.dat", energy_progression)