Merge branch 'main' of hpcg.uochb.cas.cz:tenders/aurum_3

   - $c_{cpu}$ = Total number of cores in computational nodes

   - $c_{mem}$ = Total number of cores in big memory nodes

   - $c_{gpu}$ = Total number of cores in GPU nodes

   - $c_{biggpu}$ = Total number of cores in GPU nodes

   - $c_{biggpu}$ = Total number of cores in GPU-mem nodes

   - $N_{cpu}$ = Total number of computational nodes

   - $N_{mem}$ = Total number of big memory nodes

   - $N_{gpu}$ = Total number of GPU nodes

   - $N_{biggpu}`$ = Total number of GPU nodes

   - $N_{biggpu}$ = Total number of GPU-mem nodes

   - $N = N_{cpu}+N_{mem}+N_{gpu}+N_{biggpu}$= Total number of nodes in the cluster

   - $N^{test}_{task,job}$ = Number of nodes to be used in a job for a given task belonging to a test

- Number of jobs required to run simultaneously within a task

- **Minimal performance for each job:**

The results for the same number of nodes with the number of cores per node restricted to 36 should be at least higher than 80% of the value obtained with our older aurum cluster.

## 2. Tests scaling in the mem nodes

## 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.

- **Execution time per task:** 1 hour

- **Number of computational nodes per job in each task:**  $N^{\text{scaling\_test\_gpu}}_{\text{task,job}}$ = [1, 2, 4, 6, 8, 10, 12, 14, 16, 18 and 20] Nodes.

- **Number of cores per node:** Only 36 cores can be used for each node in this test 

- **Total duration test:** $\sim 1 \text{ hour per task} \times N^{\text{scaling\_test\_gpu}_{\text{task,job}} \times 5 \text{ storages}$

- **Total duration test:** $\sim 1 \text{ hour per task} \times N^{\text{scaling\_test\_gpu}}_{\text{task,job}} \times 5 \text{ storages}$

- **Number of simultaneous jobs in each task:** $J_{gpu}^{max}$

- **Special test conditions:**

   - All tasks in the test need to be run sequentially without interruption to ensure that some jobs eventually use nodes placed in different sections of the cluster.

- **Number of tasks:** 5 x 5

- **Storage for tasks:** This test must try all 5 different NFS shares in storage1, storage2, scratch1,  scratch2, cryo2.

- **Execution time per task:** 1 hour

- **Number of computational nodes per job in each task:**  $N^{\text{scaling\_test\_biggpu}}_{\text{task,job}}= [1, 2, 4, 6, 8] Nodes.

- **Total duration test:** $\sim 1 \text{ hour per task} \times N^{\text{scaling\_test\_biggpu}_{\text{task,job}} \times 5 \text{ storages}$

- **Number of computational nodes per job in each task:**  $N^{\text{scaling\_test\_biggpu}}_{\text{task,job}}$ = [1, 2, 4, 6, 8] Nodes.

- **Total duration test:** $\sim 1 \text{ hour per task} \times N^{\text{scaling\_test\_biggpu}}_{\text{task,job}} \times 5 \text{ storages}$

- **Number of simultaneous jobs in each task:** $J_{biggpu}^{max}$

- **Special test conditions:**

   - All tasks in the test need to be run sequentially without interruption to ensure that some jobs eventually use nodes placed in different sections of the cluster.