Updates to benchmarks (#98)

openmm · Jul 20, 2023 · 999355b · 999355b
1 parent de3b930
commit 999355b
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diff --git a/components/benchmarks.vue b/components/benchmarks.vue
@@ -50,7 +50,7 @@
                 Platforms
               </v-expansion-panel-header>
               <v-expansion-panel-content class="text--secondary">
-                Simulations were run using the CUDA platform on a variety of Ampere (RTX 3090, A100) and Hopper (RTX 4080, H100) GPUs.
+                Simulations were run using the CUDA platform on a variety of Ampere (RTX 3090, A100), Ada Lovelace (RTX 4080, RTX 4090), and Hopper (H100) GPUs.
               </v-expansion-panel-content>
             </v-expansion-panel>
           </v-expansion-panels>
@@ -95,7 +95,7 @@
                 Platforms
               </v-expansion-panel-header>
               <v-expansion-panel-content class="text--secondary">
-                Simulations were run using the CUDA platform on a variety of Ampere (RTX 3090, A100) and Hopper (RTX 4080, H100) GPUs.
+                Simulations were run using the CUDA platform on a variety of Ampere (RTX 3090, A100), Ada Lovelace (RTX 4080, RTX 4090), and Hopper (H100) GPUs.
               </v-expansion-panel-content>
             </v-expansion-panel>
           </v-expansion-panels>
@@ -131,8 +131,8 @@
               <v-expansion-panel-content class="text--secondary">
                 Simulations were run using the following platforms and hardware:
                 <ul>
-                  <li>CUDA platform on a variety of Ampere (RTX 3090, A100) and Hopper (RTX 4080, H100) GPUs.</li>
-                  <li>CUDA platform parallelizing the simulation across multiple A100 or H100 GPUs connected by NVLink-3.</li>
+                  <li>CUDA platform on a variety of Ampere (RTX 3090, A100), Ada Lovelace (RTX 4080, RTX 4090), and Hopper (H100) GPUs.</li>
+                  <li>CUDA platform parallelizing the simulation across multiple A100 GPUs connected by NVLink-3.</li>
                 </ul>
               </v-expansion-panel-content>
             </v-expansion-panel>
@@ -169,8 +169,8 @@
               <v-expansion-panel-content class="text--secondary">
                 Simulations were run using the following platforms and hardware:
                 <ul>
-                  <li>CUDA platform on a variety of Ampere (RTX 3090, A100) and Hopper (RTX 4080, H100) GPUs.</li>
-                  <li>CUDA platform parallelizing the simulation across multiple A100 or H100 GPUs connected by NVLink-3.</li>
+                  <li>CUDA platform on a variety of Ampere (RTX 3090, A100), Ada Lovelace (RTX 4080, RTX 4090), and Hopper (H100) GPUs.</li>
+                  <li>CUDA platform parallelizing the simulation across multiple A100 GPUs connected by NVLink-3.</li>
                 </ul>
               </v-expansion-panel-content>
             </v-expansion-panel>
@@ -207,7 +207,7 @@
                 Platforms
               </v-expansion-panel-header>
               <v-expansion-panel-content class="text--secondary">
-                Simulations were run using the CUDA platform on a variety of Ampere (RTX 3090, A100) and Hopper (RTX 4080, H100) GPUs.
+                Simulations were run using the CUDA platform on a variety of Ampere (RTX 3090, A100), Ada Lovelace (RTX 4080, RTX 4090), and Hopper (H100) GPUs.
               </v-expansion-panel-content>
             </v-expansion-panel>
           </v-expansion-panels>

diff --git a/data/benchmarks.json b/data/benchmarks.json
@@ -1,31 +1,31 @@
 {
 "dhfr":
   [
-    ["Simulation type", "RTX 3090", "RTX 4080", "A100", "H100"],
-    ["Implicit"       ,  2582.84, 3665.3433, 1999.22, 2430.8067],
-    ["Explicit-RF"    ,  1727.79333, 2423.3167, 1467.05, 1759.1533],
-    ["Explicit-PME"   ,  1529.87, 2034.1667, 1276.03, 1501.5833]
+    ["Simulation type", "RTX 3090", "RTX 4080", "RTX 4090", "A100", "H100"],
+    ["Implicit"       ,  2582.84, 3665.3433, 3813.987, 1999.22, 2430.8067],
+    ["Explicit-RF"    ,  1727.79333, 2423.3167, 2638.22, 1467.05, 1759.1533],
+    ["Explicit-PME"   ,  1529.87, 2034.1667, 2250.01, 1276.03, 1501.5833]
   ],
 "apoa1":
   [
-    ["Simulation type", "RTX 3090", "RTX 4080", "A100", "H100"],
-    ["RF"             , 608.9225, 909.2360, 626.127, 799.5440],
-    ["PME"            , 425.4835, 606.7433, 445.3493, 609.0333],
-    ["LJPME"          , 332.919, 479.4897, 352.966, 488.8000]
+    ["Simulation type", "RTX 3090", "RTX 4080", "RTX 4090", "A100", "H100"],
+    ["RF"             , 608.9225, 909.2360, 1179.653, 626.127, 799.5440],
+    ["PME"            , 425.4835, 606.7433, 784.5597, 445.3493, 609.0333],
+    ["LJPME"          , 332.919, 479.4897, 620.874, 352.966, 488.8000]
   ],
 "cellulose":
   [
-    ["Simulation type", "RTX 3090", "RTX 4080", "1x A100", "2x A100", "3x A100", "4x A100", "1x H100", "2x H100", "3x H100"],
-    ["PME", 79.19405, 154.5783, 126.6877, 194.8263, 223.8817, 246.1657, 161.8467, 230.6577, 241.4027]
+    ["Simulation type", "RTX 3090", "RTX 4080", "RTX 4090", "1x A100", "2x A100", "3x A100", "4x A100", "H100"],
+    ["PME", 79.19405, 154.5783, 201.1663, 126.6877, 194.8263, 223.8817, 246.1657, 161.8467]
   ],
 "stmv":
   [
-    ["Simulation type", "RTX 3090", "RTX 4080", "1x A100", "2x A100", "3x A100", "4x A100", "1x H100", "2x H100", "3x H100"],
-    ["PME", 23.13945, 42.3839, 38.5083, 63.6723, 79.0208, 90.6358, 47.8024, 76.0334, 86.9411]
+    ["Simulation type", "RTX 3090", "RTX 4080", "RTX 4090", "1x A100", "2x A100", "3x A100", "4x A100", "H100"],
+    ["PME", 23.13945, 42.3839, 59.34967, 38.5083, 63.6723, 79.0208, 90.6358, 47.8024]
   ],
 "amoebadhfr":
   [
-    ["Simulation type", "RTX 3090", "RTX 4080", "A100", "H100"],
-    ["PME"            , 27.52545, 36.7708, 23.9657, 32.1258]
+    ["Simulation type", "RTX 3090", "RTX 4080", "RTX 4090", "A100", "H100"],
+    ["PME"            , 27.52545, 36.7708, 44.31527, 23.9657, 32.1258]
   ]
 }