From 1633f5eb8ba3db10e206a87952462af2b3439615 Mon Sep 17 00:00:00 2001
From: Martin Schroschk <martin.schroschk@tu-dresden.de>
Date: Wed, 31 Aug 2022 14:20:27 +0200
Subject: [PATCH] Add comment on allocating workspaces in example
---
doc.zih.tu-dresden.de/docs/data_lifecycle/workspaces.md | 3 ++-
doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md | 3 ++-
2 files changed, 4 insertions(+), 2 deletions(-)
diff --git a/doc.zih.tu-dresden.de/docs/data_lifecycle/workspaces.md b/doc.zih.tu-dresden.de/docs/data_lifecycle/workspaces.md
index 8e7da9b49..e88fdd8af 100644
--- a/doc.zih.tu-dresden.de/docs/data_lifecycle/workspaces.md
+++ b/doc.zih.tu-dresden.de/docs/data_lifecycle/workspaces.md
@@ -244,8 +244,9 @@ calling the actual software to do your computation).
test ! -f "${INPUTFILE}" && echo "Error: Could not find the input file ${INPUTFILE}" && exit 1
+ # Allocate workspace. Adjust time span to time limit of the job (-d <N>).
COMPUTE_DIR=computation_$SLURM_JOB_ID
- export WORKSPACE_DIR=$(ws_allocate -F ssd ${COMPUTE_DIR} 7)
+ export WORKSPACE_DIR=$(ws_allocate -F ssd -n ${COMPUTE_DIR} -d 7)
echo ${WORKSPACE_DIR}
# Check allocation
diff --git a/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md b/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md
index e16ec8bdb..d7a90eb4b 100644
--- a/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md
+++ b/doc.zih.tu-dresden.de/docs/software/nanoscale_simulations.md
@@ -139,8 +139,9 @@ However hereafter we have an example on how that might look like for Gaussian:
test ! -f "${INPUTFILE}" && echo "Error: Could not find the input file ${INPUTFILE}" && exit 1
+ # Allocate workspace. Adjust time span to time limit of the job (-d <N>).
COMPUTE_DIR=gaussian_${SLURM_JOB_ID}
- export GAUSS_SCRDIR=$(ws_allocate -F ssd ${COMPUTE_DIR} 7)
+ export GAUSS_SCRDIR=$(ws_allocate -F ssd -n ${COMPUTE_DIR} -d 7)
echo ${GAUSS_SCRDIR}
# Check allocation.
--
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