Re: [QE-users] [QE-GPU] Quantum ESPRESSO on Google colab

[Pietro Bonfa]

Dear Yuvam Bhateja,

is this use of Google Colab allowed?
Anyway, please post some more details about the configure output message 
and the error that you get, otherwise it's really impossible to help you.

Best regards,
Pietro


On 5/26/20 10:31 AM, Yuvam Bhateja wrote:
Hey,
We all know that Google colab provides free GPU. Can we use QE in Google 
colab with GPU acceleration?
I installed pgi compiler and cuda and was successfully in configuring 
and making the original qe-gpu at github in Google colab through bash 
commands.
But on putting input like....
/qe-gpu/bin/pw.x < si.scf.in 
<https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fsi.scf.in%2F&data=02%7C01%7Cpietro.bonfa%40unipr.it%7Cd93975c669584c4207fa08d8014f580b%7Cbb064bc5b7a841ecbabed7beb3faeb1c%7C0%7C0%7C637260788348713686&sdata=XKooze20qXJvaD939Unq4Z%2FE1PClDB1CNCL9XGGJ%2F9g%3D&reserved=0> > 
si.scf.out
And
With -inp si.scf.in 
<https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fsi.scf.in%2F&data=02%7C01%7Cpietro.bonfa%40unipr.it%7Cd93975c669584c4207fa08d8014f580b%7Cbb064bc5b7a841ecbabed7beb3faeb1c%7C0%7C0%7C637260788348718682&sdata=p0Jwp1OmrygV%2BM%2Baa0h0AJgtptynJ3HOUpbWfxKoZtw%3D&reserved=0> > 
si.scf.out

It says.... Something like unknown symbol for system.

Can anyone please help?
I really want to accelerate my QE calculation through GPU.

Regards
Yuvam Bhateja


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