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Missing ddikick.x #73

Open samcom12 opened 3 months ago

samcom12 commented 3 months ago

Hi,

the compilation ddi module completes successfully on linux64.

image

But it is unable to create ddikick.x

Cheers, Samir

gschoend commented 3 months ago

ddikick.x is only for sockets.  You compiled using MPI.On Apr 22, 2024, at 2:36 AM, Samir Shaikh @.***> wrote: Hi, the compilation ddi module completes successfully on linux64. image.png (view on web) But it is unable to create ddikick.x Cheers, Samir

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samcom12 commented 3 months ago

Thanks @gschoend .

Can you provide a working installation doc for GAMESS with CUDA, Intel MPI, and Intel LLVM Compilers? Some of the doc available in public domain are outdated.

Can you provide source path/ download link for HPCCHEM / LIBCCHEM 2.0 interface ?

JorgeG94 commented 1 month ago

hey @samcom12 the libcchem 2.0 has not been released yet so right now the routines there are placeholders. We will let you know when this is available to the public :) sorry for the inconvenience.