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

ma455...@gmail.com ma455173220 at gmail.com
Thu Mar 24 21:25:32 UTC 2022

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.


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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