Re: [AMBER] Error Amber18 installation with Intel 19 compiler

From: David Case <>
Date: Sat, 26 Jan 2019 22:02:25 +0000

On Sat, Jan 26, 2019, Bundit BOONYARIT wrote:
>I have some problem on Amber18 installation. When I compile with
>"./configure intel" for serial CPU installation, I get some error with
>icc -c -Dflex -ip -O3 -std=gnu99 -xHost -fPIC -D_FILE_OFFSET_BITS=64
>-DRISMSFF -I/apps/amber18_intel/include -o rand2.o rand2.c
>nblist.c(883): warning #3180: unrecognized OpenMP #pragma
>#pragma omp parallel reduction (+: totpair) \
>": internal error: ** The compiler has encountered an unexpected problem.
>** Segmentation violation signal raised. **
>Access violation or stack overflow. Please contact Intel Support for
>compilation aborted for nblist.c (code 4)

Thanks for the report. You may be among the first to try the 2019 Intel
compilers, which are notorious/infamous for changing behavior at each

You could try to comment out the #pragma command at line 833 of
nblist.c: it's not being used anyway in the standard compile.

It would be good to report this to Intel, as requested above: compilers
should not segfault, even when given bad code.

Or, just use gnu compilers (especially for cuda compiles).

...good luck...dac

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Received on Sat Jan 26 2019 - 14:30:01 PST
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