diff --git a/.gitignore b/.gitignore index cd98d5b..2df7d70 100644 --- a/.gitignore +++ b/.gitignore @@ -2,7 +2,5 @@ **/.ipynb_checkpoints/ **/__pycache__/ **/*output/ - -figures/**/*.csv - -*.psd +local/ +tests/local_timings/ diff --git a/tests/output_r40_rep10_cpu/timings_cpu_bs1000.csv b/tests/output_r40_rep10_cpu/timings_cpu_bs1000.csv new file mode 100644 index 0000000..216ae2d --- /dev/null +++ b/tests/output_r40_rep10_cpu/timings_cpu_bs1000.csv @@ -0,0 +1,39 @@ +# diameter, n_atoms, mu, sigma +4.213586,5.000000,0.001416,0.000012 +8.068403,23.000000,0.002232,0.000027 +10.603959,47.000000,0.003103,0.000069 +12.640759,77.000000,0.004692,0.000070 +15.952379,161.000000,0.014027,0.000079 +17.373060,185.000000,0.018017,0.000348 +18.686039,287.000000,0.039889,0.000132 +21.067930,383.000000,0.069072,0.000178 +22.163090,473.000000,0.104025,0.000887 +25.164200,701.000000,0.223823,0.000830 +27.843697,845.000000,0.323866,0.001322 +29.495102,1079.000000,0.522947,0.002696 +31.811878,1367.000000,0.833812,0.003122 +33.971016,1733.000000,1.346658,0.021127 +36.000896,2045.000000,1.875643,0.003545 +37.922276,2285.000000,2.349049,0.019932 +39.750893,2903.000000,3.790146,0.032206 +41.499012,3203.000000,4.599223,0.023724 +43.721245,3833.000000,6.605641,0.043573 +45.835865,4469.000000,8.966790,0.044475 +47.857140,5015.000000,11.291051,0.049197 +49.796436,5819.000000,14.995685,0.060233 +52.119183,6419.000000,18.212230,0.042924 +53.905365,7361.000000,23.962448,0.055589 +56.058117,8273.000000,30.326532,0.062435 +58.131203,9227.000000,37.683696,0.061351 +59.737892,10271.000000,47.005262,0.315778 +62.069996,11375.000000,58.021891,0.359236 +63.948490,12581.000000,70.274560,0.425280 +66.132278,13865.000000,85.332883,0.438871 +67.898468,15311.000000,104.302281,0.402601 +69.619865,16571.000000,121.492073,0.322690 +71.960686,18143.000000,145.965860,0.617851 +73.908112,19829.000000,174.715901,0.763826 +75.805527,21341.000000,203.940304,0.736895 +77.960831,23291.000000,242.725602,1.280604 +80.058136,25031.000000,278.784019,1.561775 +82.101883,27161.000000,328.641859,1.678426 diff --git a/tests/output_r40_rep10_diffpy/timings_diffpy.csv b/tests/output_r40_rep10_diffpy/timings_diffpy.csv new file mode 100644 index 0000000..3a2aa19 --- /dev/null +++ b/tests/output_r40_rep10_diffpy/timings_diffpy.csv @@ -0,0 +1,39 @@ +# diameter, n_atoms, mu, sigma +4.213586,5.000000,0.003566,0.008310 +8.068403,23.000000,0.002265,0.000035 +10.603959,47.000000,0.006703,0.000047 +12.640759,77.000000,0.016597,0.000041 +15.952379,161.000000,0.067887,0.000924 +17.373060,185.000000,0.088910,0.000642 +18.686039,287.000000,0.213297,0.002147 +21.067930,383.000000,0.385331,0.008448 +22.163090,473.000000,0.588004,0.009272 +25.164200,701.000000,1.265145,0.014198 +27.843697,845.000000,1.800936,0.020058 +29.495102,1079.000000,2.816103,0.039456 +31.811878,1367.000000,4.315187,0.036148 +33.971016,1733.000000,6.310365,0.029453 +36.000896,2045.000000,8.210495,0.067534 +37.922276,2285.000000,9.713228,0.087670 +39.750893,2903.000000,13.736232,0.125456 +41.499012,3203.000000,15.717998,0.022079 +43.721245,3833.000000,20.197606,0.024148 +45.835865,4469.000000,24.861541,0.022712 +47.857140,5015.000000,29.004007,0.041343 +49.796436,5819.000000,35.257178,0.034964 +52.119183,6419.000000,40.075921,0.040998 +53.905365,7361.000000,47.804649,0.147971 +56.058117,8273.000000,55.311521,0.038645 +58.131203,9227.000000,63.407015,0.058131 +59.737892,10271.000000,72.389715,0.078712 +62.069996,11375.000000,82.109757,0.054720 +63.948490,12581.000000,92.863681,0.107922 +66.132278,13865.000000,104.464177,0.129799 +67.898468,15311.000000,117.650340,0.122218 +69.619865,16571.000000,129.461396,0.119152 +71.960686,18143.000000,144.430177,0.182979 +73.908112,19829.000000,160.353003,0.284321 +75.805527,21341.000000,175.162353,0.412657 +77.960831,23291.000000,194.157713,0.384473 +80.058136,25031.000000,210.649746,0.227602 +82.101883,27161.000000,231.862724,0.261230 diff --git a/tests/output_r40_rep10_titan/timings_cuda_NVIDIA TITAN RTX_bs10000.csv b/tests/output_r40_rep10_titan/timings_cuda_NVIDIA TITAN RTX_bs10000.csv new file mode 100644 index 0000000..a0645da --- /dev/null +++ b/tests/output_r40_rep10_titan/timings_cuda_NVIDIA TITAN RTX_bs10000.csv @@ -0,0 +1,39 @@ +# diameter, n_atoms, mu, sigma +4.213586,5.000000,0.001296,0.000044 +8.068403,23.000000,0.001346,0.000025 +10.603959,47.000000,0.001506,0.000025 +12.640759,77.000000,0.001701,0.000031 +15.952379,161.000000,0.002840,0.000044 +17.373060,185.000000,0.003063,0.000026 +18.686039,287.000000,0.005563,0.000029 +21.067930,383.000000,0.008167,0.000081 +22.163090,473.000000,0.011238,0.000054 +25.164200,701.000000,0.019819,0.000202 +27.843697,845.000000,0.027412,0.000091 +29.495102,1079.000000,0.043395,0.000119 +31.811878,1367.000000,0.068148,0.000139 +33.971016,1733.000000,0.107398,0.000266 +36.000896,2045.000000,0.158021,0.000112 +37.922276,2285.000000,0.196350,0.000410 +39.750893,2903.000000,0.312416,0.000518 +41.499012,3203.000000,0.377795,0.000263 +43.721245,3833.000000,0.538500,0.000515 +45.835865,4469.000000,0.728972,0.001195 +47.857140,5015.000000,0.922287,0.002443 +49.796436,5819.000000,1.251361,0.007563 +52.119183,6419.000000,1.541845,0.017991 +53.905365,7361.000000,2.033518,0.013919 +56.058117,8273.000000,2.566331,0.024223 +58.131203,9227.000000,3.192522,0.012123 +59.737892,10271.000000,3.949835,0.019952 +62.069996,11375.000000,4.861165,0.035217 +63.948490,12581.000000,5.934560,0.028596 +66.132278,13865.000000,7.223809,0.028638 +67.898468,15311.000000,8.750402,0.025191 +69.619865,16571.000000,10.296027,0.050031 +71.960686,18143.000000,12.330794,0.063179 +73.908112,19829.000000,14.702202,0.062123 +75.805527,21341.000000,17.058533,0.051937 +77.960831,23291.000000,20.234430,0.073399 +80.058136,25031.000000,23.341721,0.057667 +82.101883,27161.000000,27.487879,0.095919 diff --git a/DebyeCalculator/utility/produce_figure_data.py b/tests/produce_figure_data.py similarity index 100% rename from DebyeCalculator/utility/produce_figure_data.py rename to tests/produce_figure_data.py