I am trying to use Maestro software (Schrodinger) and I get the error: Cannot start job with dummy GPU host set. Please set valid CPU or GPU host.
I have found that you have to change the Schrodinger.host file with the characteristics of your graphics card. I have not been able to write the code properly. Does anyone know how to do it?
# localhostname: mihostname
host: localhost
processors: 4
tmpdir: /usr/tmp
gpgpu: 0, Tesla V100
In windows 10.
Len Leonid Mizrah
Ensure GPU Recognition: First, make sure that your GPU cards are recognized by the Schrödinger Software. You can verify this by running the following command: $SCHRODINGER/utilities/query_gpgpu -a This step is essential for using GPUs effectively. Edit the schrodinger.hosts File: Locate the schrodinger.hosts file. By default, it is at the top level of your Schrödinger installation. You’ll need to add or modify entries in this file to specify GPU characteristics for each host. Example Entries: Here are some examples of how to configure the schrodinger.hosts file for different scenarios: Local Workstation (Single GPU): # Local workstation name: myhostname host: localhost processors: 4 tmpdir: /usr/tmp gpgpu: 0, Tesla V100 This indicates that your local workstation has a single Tesla V100 GPU available at device index 0. Remote Host (Multiple GPUs):# Remote host name: otherhost1 host: remote1.mycorp.com processors: 8 schrodinger: /path/to/schrodinger/ tmpdir: /usr/tmp gpgpu: 0, Tesla V100 gpgpu: 1, Tesla V100 Here, the remote workstation has two Tesla V100 GPUs at device indices 0 and 1. Queueing System Configuration: If you’re using a batch queueing system (e.g., SGE, Torque, LSF, Slurm), configure the queue and resource requests accordingly. Examples for different queueing systems are provided in the official Schrödinger support article. Important Notes:Ensure that the files referred to in the schrodinger.hosts file exist or remove references to non-existent files. If you don’t have permission to edit the hosts file, ask the person who installed the software to address any issues.
Dear Aaron Bustos-Baena ,
To configure the schrodinger.hosts file for GPU usage in Schrödinger’s Maestro software, follow these steps:
Remember to replace placeholders (such as /path/to/schrodinger/) with the actual paths relevant to your system. Good luck with your GPU configuration!
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