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
settings?
Best,
Cong Liu
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Received on Fri Apr 10 2020 - 17:00:02 PDT
