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It's likely that your vasp was not compiled with your MPI that is currently used. |
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When i was using dpgen and "nohup dpgen init_bulk param.json machine.json 1>log 2>err&" to submit a task, I find that the fp.log shows as blow
![image](https://private-user-images.githubusercontent.com/192667736/406291280-fbdbf9b8-b2d7-4037-a57d-930bfd7208a4.png?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.eyJpc3MiOiJnaXRodWIuY29tIiwiYXVkIjoicmF3LmdpdGh1YnVzZXJjb250ZW50LmNvbSIsImtleSI6ImtleTUiLCJleHAiOjE3MzkwNTM1NjcsIm5iZiI6MTczOTA1MzI2NywicGF0aCI6Ii8xOTI2Njc3MzYvNDA2MjkxMjgwLWZiZGJmOWI4LWIyZDctNDAzNy1hNTdkLTkzMGJmZDcyMDhhNC5wbmc_WC1BbXotQWxnb3JpdGhtPUFXUzQtSE1BQy1TSEEyNTYmWC1BbXotQ3JlZGVudGlhbD1BS0lBVkNPRFlMU0E1M1BRSzRaQSUyRjIwMjUwMjA4JTJGdXMtZWFzdC0xJTJGczMlMkZhd3M0X3JlcXVlc3QmWC1BbXotRGF0ZT0yMDI1MDIwOFQyMjIxMDdaJlgtQW16LUV4cGlyZXM9MzAwJlgtQW16LVNpZ25hdHVyZT01NThjN2YyMGJjZTY4ZTg2ZThlOWIzMDkzYjllZDM1MmMwNjk5NTEyZjlhOGUwMDNhZTMzNTQ4Nzk4YWY1YzY2JlgtQW16LVNpZ25lZEhlYWRlcnM9aG9zdCJ9.OP9dJbds6aZRBx5ra08toxZSkbiK8waTQSck3FoGRqE)
![image](https://private-user-images.githubusercontent.com/192667736/406291648-a04142b6-b56f-4c52-974d-9f682b7894f2.png?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.eyJpc3MiOiJnaXRodWIuY29tIiwiYXVkIjoicmF3LmdpdGh1YnVzZXJjb250ZW50LmNvbSIsImtleSI6ImtleTUiLCJleHAiOjE3MzkwNTM1NjcsIm5iZiI6MTczOTA1MzI2NywicGF0aCI6Ii8xOTI2Njc3MzYvNDA2MjkxNjQ4LWEwNDE0MmI2LWI1NmYtNGM1Mi05NzRkLTlmNjgyYjc4OTRmMi5wbmc_WC1BbXotQWxnb3JpdGhtPUFXUzQtSE1BQy1TSEEyNTYmWC1BbXotQ3JlZGVudGlhbD1BS0lBVkNPRFlMU0E1M1BRSzRaQSUyRjIwMjUwMjA4JTJGdXMtZWFzdC0xJTJGczMlMkZhd3M0X3JlcXVlc3QmWC1BbXotRGF0ZT0yMDI1MDIwOFQyMjIxMDdaJlgtQW16LUV4cGlyZXM9MzAwJlgtQW16LVNpZ25hdHVyZT1lYmQzMjdhMTMxMzFmMjZmYjIxMjllNjBiMWY0ZThjMDdiMDEwMjQ2MTg2OTE0MTNjOGMzYTVkMWI0ZjFkOGMwJlgtQW16LVNpZ25lZEhlYWRlcnM9aG9zdCJ9.t1umqIOrktPIERUOCNycwz-Hz9wGug7ydsaLwkK91IE)
it seems that it only runs on 1 cores, although when i "top", there are 24 cores are used by vasp.
the machine.json shows as blow
why does the question occur? how can i do to solve this problem to make the vasp task run on multiple cores.
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