Re: [AMBER-Developers] EMIL breaks everything???

From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 10 Jan 2014 17:04:40 -0800

Correction - I also had to comment out 'emil' from src/Makefile since it
appears there is no protection in there to not attempt to build in
src/emil if emil was not configured during the configure step.


On 1/10/14, 4:59 PM, "Ross Walker" <ross.rosswalker.co.uk> wrote:

>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/mis
>>s
>>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
>>be read every day, and should not be used for urgent or sensitive issues.
>>
>>
>>
>>
>>
>>
>>
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>
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Received on Fri Jan 10 2014 - 17:30:03 PST
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