Here you can find our most frequently asked questions. Please check whether your question is answered here, before submitting a support request. or your convenience, the questions are sorted after topics. As some questions relate to two or more topic areas, you might see them more than once in the listing.

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HPC access questions

How much does HPC usage cost?As with all services, also the usage of our HPC resources is accounted in Arbeitseinheiten (AE). For the current pricing, see the Dienstleistungskatalog: link. To see your current quota usage, see: link or login to login.gwdg.de and use the command kontingent.
Can I get HPC access with my student account?No, you cannot use the HPC system with your account associated to the stud.uni-goettingen.de domain. You need a full GWDG account. If you are employed by the University, the Max Planck Society or the Universities Medical Centre you have an “Einheitlicher Mitarbeiter Account”. If not, please contact support@gwdg.de for further information or fill in the application form with your supervisors and then send an activation request with your GWDG user ID to support@gwdg.de.
The limit of 120 hours (i.e. five days) runtime is too constraining, I need more runtime. Is that possible?We do not encourage longer runtimes than five days, as the probability of failure increases over time. Instead, we highly recommend job dependency chains and checkpointing of your program. If those chains are not feasible in your case, please contact support@gwdg.de
Why does my program crash with `illegal instruction`?If your program crashes with illegal instruction error(s) they are sometimes burried in many errors. This is usually due to differences in processor architecture between the machine the code was compiled on and the machine the program ran on. Specifically: If you compiled your code a newer system, such as our frontends gwdu101 and gwdu101 and try to run it on one of the older nodes, such das the dmp or dfa nodes, it will crash with an error like this. To mitigate this, either add #SBATCH -C cascadelake to you jobscript to limit it to nodes with a Cascade Lake processor, or compile it on our older frontend gwdu103.
When will my job start?You can use scontrol show job $JOBID | grep StartTime to get an estimate for the start time of your job. However, this information is not always available.
Why is my job killed with with `oom-kill` events or `out-of-memory` handler?Your job is killed with a message like this slurmstepd: error: Detected 1 oom-kill event(s) in StepId=[JOBID].batch cgroup. Some of your processes may have been killed by the cgroup out-of-memory handler. This means your job ran out of memory, i.e. your program used more memory/RAM than you requested. Please request more memory.
Why are my jobs pending with "(QOSGrpCpuLimit)"?If your jobs are pending with (QOSGrpCpuLimit), it means that all the global job slots for the QoS are currently used. It has nothing to do with your user being limited. We have a global limit on 1024 cores being used simultaneously in the long-QoS. Your job has to wait until enough cores are available.
I'm running out of space. How do I increase my quota?Please check whether you can move your data to scratch, the archive or to a different system. If this is not possible, write a mail to support@gwdg.de requesting more quota for your $home. You can always check your quota with Quota on the frontend nodes.
Why can't I write to my home directory any more?Maybe you have run out of quota. You can log into the frontends and check your quota with Quota. If the number underneath used is larger than the number underneath softlimit, you have exceeded the softlimit, but (maybe) not reached the hardlimit yet. Check whether you can move some files to /scratch, the archive or move it completely from the HPC systems. If this is not the case, you can also request more quota by writing a mail to support.
Why can't I use Gaussian?Access to Gaussian is restricted due to license requirements. In order to enable your account for Gaussian, please contact hpc@gwdg.de with the following information: - Your username - Information on amount, size (in terms of molecule size or number of basis functions) and computational method (for example DFT/6-311G* geometry optimizations) of your planned calculations
Why can't my software find libcuda?CUDA is only installed on the GPU nodes. Here you can find all information on how to write a batch script for GPU nodes. If the problem persists, please do not hesitate to contact us via mail
How can I install software (with conda/mamba/micromamba)?Exemplarily, we show, how you can install software with conda here. First, you need to load the accorsing module: module load conda. Then you create a new module environment with conda create --name <environment> and activate it conda activate <environment>. Within the environment you can then install the software you want to have within this environment conda install <software>. If you want this environment to be activated by default, you need to add the module load conda and conda activate <environment> commands to your .bashrc or your .profile.
How can I use docker?Docker is not on the clusters, but Docker containers (as well as OCI images) can be converted to Singularity containers which can be run on the clusters and are more suitable for HPC tasks (can access your HOME directory). First, do module load singularity to get access to singularity. Then, you convert the Docker image to a Singularity image with singularity build SINGULARITY_CONTAINER_NAME docker://DOCKER_URL_TAG_ETC where SINGULARITY_CONTAINER_NAME is the file name you want to be the converted image, which traditionally uses the extension .sif. If you need to overwrite an existing image, add the -F option. Then, to run the Singularity image, do singularity run SINGULARITY_CONTAINER_NAME followed by any command line arguments you want to pass.
How can I install software (with Spack)?With spack-user, you can install software that is available for the currently installed version. You need to first load the module with module load spack-user, then you need to source the setup environment with source $SPACK_USER_ROOT/share/spack/setup-env.sh. You can then install your desired software with spack install <software> and then use it with spack load <software>. If you want this module to be loaded by default, you need to add the module load spack-user, source $SPACK_USER_ROOT/share/spack/setup-env.sh and spack load <software> commands to your .bahsrc or .profile.