[AMBER] AmberTools17 + intel17 = bug

From: Hector A. Baldoni <hbaldoni.unsl.edu.ar>
Date: Tue, 18 Apr 2017 20:02:39 -0300 (ARGSL-ST)

Dear Sirs,

I was trying to compile the AmberTools17 whith the Intel(R) Parallel
Studio XE Cluster Edution for Linux, Version 17.0.3.191 Build 20170404
compiler, however in such compiler the -openmpi option is deprecated and
replaced by “–qopenmp” and the compiler complains with the following
error:

================================================================
./configure -noX11 -qopenmp -intelmpi intel
Checking for updates...
Checking for available patches online. This may take a few seconds...
Available AmberTools 17 patches:
No patches available
Available Amber 16 patches:
No patches available
Error: Unknown or misplaced flag: -qopenmp
       Usage: ./configure [flags] compiler
       Type './configure -help' for more details.
Configure failed due to the errors above!
================================================================

Would you please add an appropriated bug fix to circumvent such error.

Best Regards,
Hector.

--------------------------------------
 Dr. Hector A. Baldoni
 Profesor Adjunto (FQByF-UNSL)
 Investigador Adjunto (IMASL-CONICET)
 Area de Quimica General e Inorganica
 Universidad Nacional de San Luis
 Chacabuco 917 (D5700BWS)
 San Luis - Argentina
 hbaldoni at unsl dot edu dot ar
 Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
-.First thinghs first, but not necesarily in that order.-

-.The theoretical approach these days can predict/show almost anything,
but the ultimate truth lies in the experiment.-


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Received on Tue Apr 18 2017 - 16:30:02 PDT
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