[AMBER] Amber18 compiled with GCC/8.3.0 fails some DPFP tests

From: Cong Liu <cong.liu.1.stonybrook.edu>
Date: Fri, 10 Apr 2020 19:52:16 -0400

Dear Amber Developers,

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 compile parameters:

   1. ./configure gnu;
   2. make install;

Can I ignore this error or I should compile Amber again with different

Cong Liu
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Received on Fri Apr 10 2020 - 17:00:02 PDT
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