Date: Sat, 11 Apr 2020 10:25:07 -0400
Hi David,
Thanks for your response. Here is the screenshot of one of the failure:
[image: Screen Shot 2020-04-11 at 10.22.57.png]
I guess the problem is more serious, since the EPtot and EGB are quite
different.
Best,
Cong
On Sat, Apr 11, 2020 at 8:03 AM David A Case <david.case.rutgers.edu> wrote:
> On Fri, Apr 10, 2020, Cong Liu wrote:
> >
> >I recently compiled Amebr18 with GCC/8.3.0 and CUDA/10.1. The compilation
> >went through well. However, *amber_cuda_serial *testing indicates 5 "*file
> >comparison failure*": DPFP myoglobin_igb7, DPFP myoglobin_igb8, DPFP
> >myoglobin_igb8_gbsa, DPFP irest1_ntt0_igb7_ntc2, DPFP
> irest1_ntt0_igb8_ntc2
> >with "IEEE_UNDERFLOW_FLAG IEEE_DENORMAL" floating-point exceptions.
>
> The underflow flag is not worrisome, but you should look at the .dif
> files (collected in the logs folder) and see if the discrepancies look
> like roundoff errors or something more serious.
>
> ....dac
>
>
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(image/png attachment: Screen_Shot_2020-04-11_at_10.22.57.png)
