Hi All,
Ok, for now I have modified AmberTools/src/configure2 to make emil not be
built by default and to change the -noemil option to -emil - this appears
to work and is a suitable bandaid for now. We should fix this properly
though. I also cleaned up the pmemd code a little bit - I really don't
like have extra ifdefs in there - we should probably try to get rid of
them as best we can - same in Sander.
All the best
Ross
On 1/10/14, 3:56 PM, "Ross Walker" <ross.rosswalker.co.uk> wrote:
>Hi all,
>
>Couple of questions.
>
>1) What is EMIL?
>
>2) Was it tested before committing?
>
>If you check cruise control you will see that as of earlier today a large
>number of builds stopped working:
>
>http://cc.ambermd.org/dashboard/tab/dashboard
>
>E.g. amber serial
>
>make[2]: Entering directory
>`/home/cc/cruisecontrol_amber/projects/Amber_serial_gnu-4.4.6/src/emil'
> cd . && /bin/sh
>/home/cc/cruisecontrol_amber/projects/Amber_serial_gnu-4.4.6/src/emil/miss
>i
>ng --run automake-1.11 --foreign
>Makefile.am:9: Libtool library used but `LIBTOOL' is undefined
>Makefile.am:9: The usual way to define `LIBTOOL' is to add
>`AC_PROG_LIBTOOL'
>Makefile.am:9: to `configure.in' and run `aclocal' and `autoconf' again.
>Makefile.am:9: If `AC_PROG_LIBTOOL' is in `configure.in', make sure
>Makefile.am:9: its definition is in aclocal's search path.
>make[2]: *** [Makefile.in] Error 1
>make[1]: *** [serial] Error 2
>make: *** [install] Error 2
>make[2]: Leaving directory
>`/home/cc/cruisecontrol_amber/projects/Amber_serial_gnu-4.4.6/src/emil'
>make[1]: Leaving directory
>`/home/cc/cruisecontrol_amber/projects/Amber_serial_gnu-4.4.6/src'
>
>
>
>Then there are lots of failures with GPU build etc etc etc.
>
>Also, there appear to have been a large number of changes from this in the
>pmemd branch without it being clear if protections were put in place for
>the GPU - is EMIL supported in the GPU code? - there doesn't appear to be
>a check to quit if not.
>
>Plus I am assuming someone tested the serial and parallel performance to
>make sure it was not impacted?
>
>I had planned today (and booked off the time) to get the gpu-tachyon
>branch moved over to master but this is now scuppered by these changes. I
>am scared to merge the master into gpu-tachyon right now since what I have
>there right now is working perfectly.
>
>Can we reverse the emil commits until this is resolved please?
>
>All the best
>Ross
>
>/\
>\/
>|\oss Walker
>
>---------------------------------------------------------
>| Associate Research Professor |
>| San Diego Supercomputer Center |
>| Adjunct Associate Professor |
>| Dept. of Chemistry and Biochemistry |
>| University of California San Diego |
>| NVIDIA Fellow |
>| http://www.rosswalker.co.uk | http://www.wmd-lab.org |
>| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
>---------------------------------------------------------
>
>Note: Electronic Mail is not secure, has no guarantee of delivery, may not
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>
>
>
>
>
>
>
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Received on Fri Jan 10 2014 - 17:30:04 PST
