Error on Settle.C when compiling NAMD with Intel Compiler

From: Florian Blanc (
Date: Wed Oct 25 2017 - 15:26:57 CDT

Dear NAMD users,

I am trying to compile the most recent (nightly of 25th of October)
version of NAMD on the French supercomputer Curie using the Intel
Compiler version 17.0.2; I want a verbs-linux-x86_64 build. Although the
compilation of charm++ works fine, the following error interrupts the
compilation of NAMD:

src/Settle.C(332): (col. 3) error #13378: loop was not vectorized with
"simd assert"

compilation aborted for src/Settle.C (code 1)

I find only one reference to this error on the Internet, on the Intel Forum:

but no further information is given. Does anyone know this problem and a
way to solve it? I can provide more details on the architecture and/or
the compilation options I used if it is relevant.

Thank you very much in advance,

Florian Blanc

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