-**Short description of the system**: Molecular dynamics simulation of membrane interacting with a peripheral protein system in Gromacs.
-**tpr file:** sys1_150k_gmx2024.tpr
-**Number atoms:** 149261
## 1. Tests scaling in the cpu nodes
-**Test name:** scaling_test_cpu
-**Nodes involved**: cpu computational nodes
-**Short description of the test**: Full (36 cores max) occupation of the computational nodes using 1 or more nodes per job. There might be few unallocated nodes if $N_{cpu}$ is not a multiple of $N^{\text{scaling\_test\_cpu}}_{task,job}$.
-**Number of tasks:** 11 x 5
-**Storage for tasks:** This test must try all 5 different NFS shares in storage1, storage2, scratch1, scratch2, cryo2.
@@ -98,9 +97,6 @@ The results for the same number of nodes with the number of cores per node restr
## 2. Tests scaling in the bigmem nodes
-**Test name:**: scaling_test_mem
-**Nodes involved**: big memory cpu computational nodes
-**Short description of the system**: Molecular dynamics simulation of membrane interacting with a peripheral protein system in Gromacs.
-**tpr file:** sys1_150k_gmx2024.tpr
-**Number atoms:** 149261
-**Short description of the test**: Full (36 cores max) occupation of the computational nodes using 1 or more nodes per job. There might be few unallocated nodes if $N_{mem}$ is not a multiple of $N^{\text{scaling\_test\_mem}}_{task,job}$.
-**Number of tasks:** 2 x 5
-**Storage for tasks:** This test must try all 5 different NFS shares in storage1, storage2, scratch1, scratch2, cryo2.
@@ -126,9 +122,6 @@ The results for the same number of nodes with the number of cores per node restr
## 3. Tests scaling in the gpu nodes
-**Test name:**: scaling_test_gpu
-**Nodes involved**: gpu computational nodes
-**Short description of the system**: Molecular dynamics simulation of membrane interacting with a peripheral protein system in Gromacs.
-**tpr file:** sys1_150k_gmx2024.tpr
-**Number atoms:** 149261
-**Short description of the test**: Full (36 cores max) occupation of the computational nodes using 1 or more nodes per job. There might be few unallocated nodes if $N_{gpu}$ is not a multiple of $N^{\text{scaling\_test\_gpu}}_{task,job}$.
-**Number of tasks:** 2 x 5
-**Storage for tasks:** This test must try all 5 different NFS shares in storage1, storage2, scratch1, scratch2, cryo2.
@@ -157,9 +150,6 @@ The results for the same number of nodes with the number of cores per node restr
## 4. Tests scaling in the biggpu nodes (CPU only)
-**Test name:**: scaling_test_biggpu
-**Nodes involved**: gpu computational nodes
-**Short description of the system**: Molecular dynamics simulation of membrane interacting with a peripheral protein system in Gromacs.
-**tpr file:** sys1_150k_gmx2024.tpr
-**Number atoms:** 149261
-**Short description of the test**: Full (36 cores max) occupation of the computational nodes using 1 or more nodes per job. There might be few unallocated nodes if $N_{biggpu}$ is not a multiple of $N^{\text{scaling\_test\_gpu}}_{task,job}$.
-**Number of tasks:** 5 x 5
-**Storage for tasks:** This test must try all 5 different NFS shares in storage1, storage2, scratch1, scratch2, cryo2.
@@ -185,8 +175,6 @@ The results for the same number of nodes with the number of cores per node restr
## 5. Test endurance cluster - not internode calculations
-**Test name:**: endurance_test_all
-**Short description of the system**: Molecular dynamics simulation of membrane interacting with a peripheral protein system in Gromacs.
-**Number atoms:** 172742
-**Short description of the test:** Full occupation of all nodes (cpu, mem, gpu, and biggpu) using 1 job per node in cpu and mem nodes, and n jobs per nodes in the gpu and biggpunodes. It is a stress test where all the clusters should work under full load for at least 23h.
-**Number of tasks:** 1
-**Number of computational nodes per job in each task:** 1
