[CP2K-user] [CP2K:16768] Re: Question about COSMA

[ma455...@gmail.com]

Hi Ole,

Thanks for your response. But I actually didn't use gsl when I compiled 
cp2k. My compiled file is attached. Please have a look.

Best,
Hongyang

在2022年3月25日星期五 UTC+11 08:20:31<Ole Schütt> 写道：

> Hi Hongyang,
>
> we have been puzzled by this mysterious slowdown as well 
> <https://github.com/cp2k/cp2k/issues/1826>. Yesterday we finally had a 
> breakthrough: You have to remove `-lgslcblas` from your ARCH file to 
> ensure that the proper BLAS library gets linked.
>
> -Ole
>
> On Thursday, March 24, 2022 at 10:51:19 AM UTC+1 ma455... at gmail.com wrote:
>
>> Hi,
>>
>> I'm just wondering are there any advantages of using COSMA instead 
>> of SCALAPACK for matrix multiplication? I found the speed of using COSMA is 
>> slower than SCALAPACK in SCF calculation.
>>
>> Thanks,
>> Hongyang
>>
>

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