QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: whumaple on March 27, 2023, 10:38

Title: No mpiexec.hydra file in .../QuantumATK-U-2022.12/libexec
Post by: whumaple on March 27, 2023, 10:38

There is no mpiexec.hydra file in .../QuantumATK-U-2022.12/libexec. This folder only contains the following files:
h5repack  lmstat  lmutil  obabel  packmol  plumed  vampire

What might be wrong? should I reinstall QuantumATK on linux server?

Title: Re: No mpiexec.hydra file in .../QuantumATK-U-2022.12/libexec
Post by: karan1234 on March 27, 2023, 10:45

Go in the folder..
....QuantumATK-U-2022.12\mpi\bin\mpiexe.hydra

Title: Re: No mpiexec.hydra file in .../QuantumATK-U-2022.12/libexec
Post by: Ulrik G. Vej-Hansen on March 29, 2023, 15:05

That's correct, the shipped mpiexec has moved to a different location, starting from the U-2022.12 release