Dear all,
as per the subject line, AmberTools20 fails to compile with gcc10. This is due to numerous parts of the code that are not exactly compliant with the C and FORTRAN standards. I think it may be a
really good idea to fix them all. For the time being, there is a workaround, which consists of two steps.
First, 2 lines in AmberTools/src/sander/mt19937.F90 need to be modified. These are line 187, which needs to read
mult_a = ieor(ishft(int(z'6C07'), 16), z'8965') ! but this is okay
and line 229, which needs to read
mult_b = ieor(ishft(int(z'5D58'), 16), z'8B65')
Then, in the configuration step, the following options must be passed to cmake
-DCMAKE_C_FLAGS=-fcommon -DCMAKE_CXX_FLAGS=-fcommon -DCMAKE_Fortran_FLAGS='-fallow-argument-mismatch -fallow-invalid-boz'
Please note that this is a workaround, and I think that the best thing would be to actually fix the invalid uses of BOZ literals and the argument mismatches in the code.
Oh, by the way, are the RXSGLD fixes going to be in an upcoming update patch, or are they going directly in the AmberTools21 code?
Cheers,
Charo
--
Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
Design Hub
Coventry University Technology Park
Coventry CV1 5FB
UK
https://charodelgenio.weebly.com
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Received on Sat Mar 13 2021 - 12:30:02 PST
