AMBER Archive (2008)

Subject: RE: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs @ pmemd.f90

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Fri Dec 05 2008 - 14:26:30 CST

> F90_OPT_LO = -tpp7 -O0
> F90_OPT_MED = -tpp7 -O2
> F90_OPT_HI = -tpp7 -xP -ip -O3
> F90_OPT_DFLT = $(F90_OPT_HI)

You can remove the -tpp7 if you want but it is just being ignored right now
- essentially new versions of the Intel compiler don't support the -tpp
option and instead just select it automatically. The warnings you are
getting are just warnings though so this isn't the problem.

> make install hums along nicely up to this point and then hangs here for a
> LONG time (up to 20 minutes)
>
> /lib/cpp -traditional -P -I/share/apps/mpich2-intel_11_install/include -
> DPUBFFT -DBINTRAJ -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -
> DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC pmemd.fpp
> pmemd.f90
> ifort -c -auto -tpp7 -xP -ip -O3 pmemd.f90
> ifort: command line remark #10148: option '-tp' not supported

Which version of ifort is this? Can you do ifort -V. Also what are the specs
for your actual machine?

I suspect that you may be running out of memory and your machine may be
swapping like crazy which is why it is taking so long. Try running top and
see how much memory the compiler is using. If this is a 'brand new' version
of the Intel compiler there may also be issues with it and we may need to
find a workaround for it.

More information is needed though before we can diagnose this further.

For reference on my machine - a 2 x quad core Intel E5462 with 16 GB ram
running Redhat EL4 and ifort 10.1.018 PMEMD compiles in less than a minute.

All the best
Ross

/\
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|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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