diff --git a/examples/PACKAGES/pod/Ta/log.30Nov22.fitpod.g++.4 b/examples/PACKAGES/pod/Ta/log.30Nov22.fitpod.g++.4 index 14a33b2d0d..ef51382de6 100644 --- a/examples/PACKAGES/pod/Ta/log.30Nov22.fitpod.g++.4 +++ b/examples/PACKAGES/pod/Ta/log.30Nov22.fitpod.g++.4 @@ -111,4 +111,4 @@ All files 363 4224 0.012901 0.025804 0.122 --------------------------------------------------------------------------------------------------- **************** End of Error Analysis for the Training Data Set **************** -Total wall time: 0:00:00 +Total wall time: 0:00:01 diff --git a/examples/PACKAGES/pod/Ta/log.30Nov22.pod.g++.1 b/examples/PACKAGES/pod/Ta/log.30Nov22.pod.g++.1 index b248415ffb..6fc4c56c1c 100644 --- a/examples/PACKAGES/pod/Ta/log.30Nov22.pod.g++.1 +++ b/examples/PACKAGES/pod/Ta/log.30Nov22.pod.g++.1 @@ -110,20 +110,20 @@ Per MPI rank memory allocation (min/avg/max) = 3.082 | 3.082 | 3.082 Mbytes 80 154.00272 -11.822938 0 -11.803187 -4898.0969 90 130.15562 -11.819879 0 -11.803187 -3113.551 100 109.35031 -11.817211 0 -11.803187 -1516.0292 -Loop time of 1.53037 on 1 procs for 100 steps with 128 atoms +Loop time of 1.54901 on 1 procs for 100 steps with 128 atoms -Performance: 2.823 ns/day, 8.502 hours/ns, 65.344 timesteps/s, 8.364 katom-step/s +Performance: 2.789 ns/day, 8.606 hours/ns, 64.557 timesteps/s, 8.263 katom-step/s 98.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 1.5286 | 1.5286 | 1.5286 | 0.0 | 99.88 +Pair | 1.5472 | 1.5472 | 1.5472 | 0.0 | 99.88 Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 0.0006036 | 0.0006036 | 0.0006036 | 0.0 | 0.04 -Output | 0.0002713 | 0.0002713 | 0.0002713 | 0.0 | 0.02 -Modify | 0.00041781 | 0.00041781 | 0.00041781 | 0.0 | 0.03 -Other | | 0.0004803 | | | 0.03 +Comm | 0.00056946 | 0.00056946 | 0.00056946 | 0.0 | 0.04 +Output | 0.00029755 | 0.00029755 | 0.00029755 | 0.0 | 0.02 +Modify | 0.0004159 | 0.0004159 | 0.0004159 | 0.0 | 0.03 +Other | | 0.0005638 | | | 0.04 Nlocal: 128 ave 128 max 128 min Histogram: 1 0 0 0 0 0 0 0 0 0 @@ -140,4 +140,4 @@ Neighbor list builds = 0 Dangerous builds = 0 -Total wall time: 0:00:02 +Total wall time: 0:00:01 diff --git a/examples/PACKAGES/pod/Ta/log.30Nov22.pod.g++.4 b/examples/PACKAGES/pod/Ta/log.30Nov22.pod.g++.4 index 14ace87b38..6fc4c56c1c 100644 --- a/examples/PACKAGES/pod/Ta/log.30Nov22.pod.g++.4 +++ b/examples/PACKAGES/pod/Ta/log.30Nov22.pod.g++.4 @@ -30,7 +30,7 @@ region box block 0 4 0 4 0 ${nz} region box block 0 4 0 4 0 4 create_box 1 box Created orthogonal box = (0 0 0) to (13.264 13.264 13.264) - 1 by 2 by 2 MPI processor grid + 1 by 1 by 1 MPI processor grid create_atoms 1 box Created 128 atoms using lattice units in orthogonal box = (0 0 0) to (13.264 13.264 13.264) @@ -110,20 +110,20 @@ Per MPI rank memory allocation (min/avg/max) = 3.082 | 3.082 | 3.082 Mbytes 80 154.00272 -11.822938 0 -11.803187 -4898.0969 90 130.15562 -11.819879 0 -11.803187 -3113.551 100 109.35031 -11.817211 0 -11.803187 -1516.0292 -Loop time of 1.53037 on 1 procs for 100 steps with 128 atoms +Loop time of 1.54901 on 1 procs for 100 steps with 128 atoms -Performance: 2.823 ns/day, 8.502 hours/ns, 65.344 timesteps/s, 8.364 katom-step/s +Performance: 2.789 ns/day, 8.606 hours/ns, 64.557 timesteps/s, 8.263 katom-step/s 98.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 1.5286 | 1.5286 | 1.5286 | 0.0 | 99.88 +Pair | 1.5472 | 1.5472 | 1.5472 | 0.0 | 99.88 Neigh | 0 | 0 | 0 | 0.0 | 0.00 -Comm | 0.0006036 | 0.0006036 | 0.0006036 | 0.0 | 0.04 -Output | 0.0002713 | 0.0002713 | 0.0002713 | 0.0 | 0.02 -Modify | 0.00041781 | 0.00041781 | 0.00041781 | 0.0 | 0.03 -Other | | 0.0004803 | | | 0.03 +Comm | 0.00056946 | 0.00056946 | 0.00056946 | 0.0 | 0.04 +Output | 0.00029755 | 0.00029755 | 0.00029755 | 0.0 | 0.02 +Modify | 0.0004159 | 0.0004159 | 0.0004159 | 0.0 | 0.03 +Other | | 0.0005638 | | | 0.04 Nlocal: 128 ave 128 max 128 min Histogram: 1 0 0 0 0 0 0 0 0 0 @@ -140,4 +140,4 @@ Neighbor list builds = 0 Dangerous builds = 0 -Total wall time: 0:00:00 +Total wall time: 0:00:01