AMBER Archive (2008)

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

From: Starr Hazard (hazards_at_musc.edu)
Date: Fri Dec 05 2008 - 15:10:11 CST

I tried replacing -tpp7 with -xHost in all three cases. It whined about
overriding xHost with xP and stopped at the same place.

Then I changed in the third instance

F90_OPT_HI = -tpp7 -xP -ip -O3 to F90_OPT_HI = -xP -ip -O3

And it stopped at the same place.

Starr

David Watson wrote:
> You might want to change the -tpp7 to -xHost if you are using the
> ifort 11.0 compiler, although you will only be able to take advantage
> of the optimizations of the hardware on the machine you are compiling
> it on.
> This is fine if you are compiling/running on the same architecture.
>
> On Dec 5, 2008, at 2:12 PM, Hazard, E. Starr wrote:
>
>
>> Here's how I set up pmemd
>>
>> ./configure linux_em64t ifort mpich2 pubfft nobintraj
>>
>>
>> Here's my config.h
>>
>> MATH_DEFINES =
>> MATH_LIBS =
>> IFORT_RPATH = /share/apps/intel/lib/intel64:/share/apps/intel/lib/
>> intel64:/share/apps/intel/mkl/lib/em64t:/share/apps/mpich2-
>> intel_11_install/lib:/share/apps/ccp4-6.0.2/lib:/opt/openmpi/1.1.4/
>> lib:/opt/lava/6.1/linux2.6-glibc2.3-ia32e/lib
>> MATH_DEFINES = -DMKL
>> MATH_LIBS = /share/apps/intel/mkl/lib/em64t/libmkl_intel_lp64.a /
>> share/apps/intel/mkl/lib/em64t/libmkl_core.a /share/apps/intel/mkl/
>> lib/em64t/libmkl_sequential.a
>> FFT_DEFINES = -DPUBFFT
>> FFT_INCLUDE =
>> FFT_LIBS =
>> NETCDF_HOME = /home/hazards/COMPILE/amber10/src/netcdf
>> NETCDF_DEFINES = -DBINTRAJ
>> NETCDF_MOD = netcdf.mod
>> NETCDF_LIBS = $(NETCDF_HOME)/lib/libnetcdf.a
>> MPI_HOME = /share/apps/mpich2-intel_11_install
>> MPI_DEFINES = -DMPI -DSLOW_NONBLOCKING_MPI
>> MPI_INCLUDE = -I$(MPI_HOME)/include
>> MPI_LIBDIR = $(MPI_HOME)/lib
>> MPI_LIBS = -L$(MPI_LIBDIR) -lmpich -lrt -luuid -lpthread
>> DIRFRC_DEFINES = -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC
>> CPP = /lib/cpp
>> CPPFLAGS = -traditional -P
>> F90_DEFINES = -DFFTLOADBAL_2PROC
>>
>> F90 = ifort
>> MODULE_SUFFIX = mod
>> F90FLAGS = -c -auto
>> F90_OPT_DBG = -g -traceback
>> F90_OPT_LO = -tpp7 -O0
>> F90_OPT_MED = -tpp7 -O2
>> F90_OPT_HI = -tpp7 -xP -ip -O3
>> F90_OPT_DFLT = $(F90_OPT_HI)
>>
>> CC = gcc
>> CFLAGS =
>>
>> LOAD = ifort
>> LOADFLAGS =
>> LOADLIBS = -limf -lsvml -Wl,-rpath=$(IFORT_RPATH)
>>
>>
>> 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
>>
>>
>> should I just keep waiting?
>>
>>
>>
>>
>>
>>
>> Then hangs.... not for 5 minutes but up to 20.
>>
>
>
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