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<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;">Dear Paolo,</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;">Hi.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;"> </div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;">>I would rather try to figure out which<br />
>specific routines give different results if compiled with no optimization</div>
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<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;">It is great ! I am eager to hear your advice.</div>
<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;"> </div>
<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;">Thank you,</div>
<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;">Best regards,</div>
<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;">Mahmoud</div>
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<blockquote class="as91pFk8AX8sDPOUp66RUy8IoCRjefxNG8oLk8fg" style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">From: Paolo Giannozzi <paolo.giannozzi@uniud.it><br />
To: Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br />
Cc: Mahmoud Payami Shabestari <mpayami@aeoi.org.ir><br />
Date: Tue, 29 Nov 2022 07:43:41 +0100<br />
Subject: Re: [QE-users] scf convergency depends on the number of mpi processes !!!<br />
<div style="font-family: monospace, courier new, courier">On 29/11/2022 06:01, Mahmoud Payami Shabestari wrote:<br />
<br />
> Could you please give me an advice on how can I compile PWscf with any<br />
> desired higher precisions than the default?<br />
<br />
I don't think you can do that by just changing some compiler options:<br />
the code is too large, there will be some instruction or library call or<br />
whatever that does not work for extended precision. Even if you succeed,<br />
the code will become too slow. I would rather try to figure out which<br />
specific routines give different results if compiled with no optimization<br />
<br />
Paolo<br />
--<br />
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br />
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216<br />
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