[molpro-user] compilation troubles on AIX 5.3
Toon Verstraelen
toon.verstraelen at UGent.be
Fri Mar 2 08:42:01 GMT 2007
Hi,
one has to set a few environment vars in order to run a molpro job on
aix 5.3:
export MP_PROCS=2
export MP_MSG_API=lapi
export MP_HOSTFILE=/home/toon/hostfile
export RT_GRQ=ON
export AIXTHREAD_SCOPE=S
export MP_INFOLEVEL=1
export LAPI_USE_SHM=yes
export USE_OLDAIO=y
./bin/molpro < tuning.com
Most of this information comes from the global arrays website. F.y.i. We
used global arrays version 4-0-1, newer versions don't seems to work
with molpro (some constants have changed). The target for compilation
should be LAPI64.
Toon
Jyh-Shyong Ho wrote:
> Hi,
>
> After the IBM engineer installed all the C compiler updates, I was able to
> compile Molpro 2006.1 on our new IBM P595 AIX 5.3, however, I am still not
> able to run the program. I wonder something in our system configuration is
> wrong.
>
> I built the serial version, and a test run
>
> molpro input.com
>
> gave me the error message:
>
> could not load program molpros_2006_1_i8
> System error: Not enough space
>
> I also built and tried the parallel version (LAPI version):
>
> molpro input.com -hostfile ./Hostfile -nprocs 2
>
> and got the error message:
>
> ERROR: 0031-808 Hostfile or pool must be used to request nodes
>
> Although I have the file Hostfile defined in the working directory, the file
> contains only one line like this
>
> hostname.nchc.org.tw
>
> The loadleveler environment on our IBM P595 is not ready yet, so above
> tests were
> done interactively.
>
> Any suggestion?
>
> Jyh-Shyong Ho, Ph.D.
> Research Scientist
> National Center for High Performance Computing
> Hsinchu, Taiwan, ROC
>
>
>
> Kirk Peterson 提到:
>> Actually this didn't help me out, but in any event blas4 is the =20
>> default for this machine (at least in my case). In
>> order to get past the C compiler problem below, I removed the option =20
>> "-qwarn64" from the CDEF line.
>>
>> best wishes,
>>
>> Kirk
>>
>> On Mar 1, 2007, at 11:20 AM, Andy May wrote:
>>
>>> I have been informed that the 64 bit ESSL math library does not contain
>>> 64 bit integers. ESSL uses the LP64 data model (32 bit integers, 64 bit
>>> longs and pointers) rather than the ILP64 data model that Molpro uses
>>> (64 bit for everything).
>>>
>>> To solve the problem you must use the blas4 setting for Molpro, this
>>> option can be specified at configure time.
>>>
>>> Best wishes,
>>>
>>> Andy
>>>
>>> Jyh-Shyong Ho wrote:
>>>> Dear Molpro users,
>>>>
>>>> We to have some difficulties in building Molpro 2006.1 on our IBM P595
>>>> (AIX 5.3) system,
>>>> the compilation failed even in building the utilitiy ftc.c:
>>>>
>>>> cc -q64 -qmaxmem=-1 -c -DSEEK=.001 -DSPEED=200000 -qarch=auto -DI64
>>>> -q64
>>>> -qwarn64 -DAIX42 -DAIX5 -DNOALRM -DUSE_LAPI -DHAVE_INTTYPES_H
>>>> -DMOLPRO_GETOPTLONG -DMA_ALLOC -DMOLPROC_PAR
>>>> -DMOLPROBASE=\"/package/chem/molpro/source/molpro2006.1\" -I. -O2 ftc.c
>>>> "/usr/include/sys/ras.h", line 357.1: 1506-195 (S) Integral constant
>>>> expression with a value greater than zero is required.
>>>> "ftc.c", line 43.47: 1506-743 (I) 64-bit portability: possible
>>>> change of
>>>> result through conversion of int type into unsigned long int type.
>>>> "ftc.c", line 44.38: 1506-743 (I) 64-bit portability: possible
>>>> change of
>>>> result through conversion of int type into unsigned long int type.
>>>> "ftc.c", line 55.12: 1506-742 (I) 64-bit portability: possible loss of
>>>> digits through conversion of unsigned long int type into int type.
>>>> "ftc.c", line 61.39: 1506-743 (I) 64-bit portability: possible
>>>> change of
>>>> result through conversion of int type into unsigned long int type.
>>>> "ftc.c", line 62.30: 1506-743 (I) 64-bit portability: possible
>>>> change of
>>>> result through conversion of int type into unsigned long int type.
>>>>
>>>> I have no idea why system file /usr/include/sys/ras.h is invloved, the
>>>> file does not exist in AIX 5.2.
>>>> Any suggestion to solve this problem is appreciated.
>>>>
>>>> Jyh-Shyong Ho, Ph.D.
>>>> Research Scientist
>>>> National Center for High Performance Computing
>>>> Hsinchu, Taiwan, ROC
>>>>
>>>>
>>>>
>>>> Toon Verstraelen 提到:
>>>>
>>>>> Dear Molpro users,
>>>>>
>>>>>
>>>>> We experience some difficulties with the compilation of molpro 2006.1
>>>>> on AIX 5.3 systems (p510 and p575, recently updated, version
>>>>> 5003-05-05) Details about our system configuration (compilers and
>>>>> libraries) are included below. The actual compilation runs fine. after
>>>>> running gmake, the a binary molprop_2006_1_i8_lapi.exe can be found in
>>>>> the bin directory. Unfortunately we can not start any job, e.g. when
>>>>> we try to do run tune.com as follows:
>>>>>
>>>>> export MP_PROCS=2
>>>>> export MP_MSG_API=lapi
>>>>> export MP_HOSTFILE=/home/toon/hostfile
>>>>> export RT_GRQ=ON
>>>>> export AIXTHREAD_SCOPE=S
>>>>> export MP_INFOLEVEL=1
>>>>> export LAPI_USE_SHM=yes
>>>>> export USE_OLDAIO=y
>>>>> ./bin/molpro < tuning.com
>>>>>
>>>>> We get the following output:
>>>>>
>>>>>
>>>>> MPP nodes nproc
>>>>> moldyn60 2
>>>>> ga_uses_ma=false, calling ma_init with nominal heap.
>>>>> GA-space will be limited to 8.0 MW (determined by -G option)
>>>>>
>>>>> Primary working directories: /tmp/toon
>>>>> Secondary working directories: /tmp/toon
>>>>>
>>>>>
>>>>> MPP tuning parameters: Latency= 0 Microseconds, Broadcast
>>>>> speed= 0 MB/sec
>>>>> default implementation of scratch files=sf
>>>>>
>>>>> memory,8,m
>>>>> maxdim=32
>>>>> maxdim1=64
>>>>> maxdim2=180
>>>>>
>>>>> blastest,n=120,unroll=4,ntrans=2,mxmblk=48,mxmbln=48,blas2=0
>>>>> mflop=max(flopmxm,flopdgm)
>>>>>
>>>>> blastest,n=480,unroll=2,ntrans=2,mxmblk=64,mxmbln=64,mflop=mflop,blas2=0
>>>>>
>>>>> flopmx2=flopmxm
>>>>> blastest,n=480,unroll=3,ntrans=2,mxmblk=64,mxmbln=64,mflop=mflop,blas2=0
>>>>>
>>>>> flopmx3=flopmxm
>>>>> blastest,n=480,unroll=4,ntrans=2,mxmblk=64,mxmbln=64,mflop=mflop,blas2=0
>>>>>
>>>>> flopmx4=flopmxm
>>>>>
>>>>> flopmx480=max(flopmx2,flopmx3,flopmx4)
>>>>> flopdg480=flopdgm
>>>>> nroll=4
>>>>> if(flopmx3.gt.max(flopmx2,flopmx4)) nroll=3
>>>>> if(flopmx2.gt.max(flopmx3,flopmx4)) nroll=2
>>>>>
>>>>> if(nroll.eq.2) then
>>>>> mxmblk=64
>>>>>
>>>>> blastest,n=960,unroll=nroll,mxmblk=nblk,mxmbln=nblk,ntrans=2,mflop=mflop,blas2=0
>>>>>
>>>>>
>>>>> flopmax=flopmxm
>>>>> else
>>>>> flopmax=0
>>>>> do nblk=64,188,24
>>>>>
>>>>> blastest,n=960,unroll=nroll,mxmblk=nblk,mxmbln=nblk,ntrans=2,mflop=mflop,blas2=0
>>>>>
>>>>>
>>>>> if(flopmxm.gt.flopmax) then
>>>>> mxmblk=nblk
>>>>> flopmax=flopmxm
>>>>> end if
>>>>> enddo
>>>>> endif
>>>>> flopmx960=flopmax
>>>>> flopdg960=flopdgm
>>>>>
>>>>>
>>>>> blastest,n=60,unroll=nroll,ntrans=2,mxmblk=mxmblk,mxmbln=mxmblk,mflop=mflop,blas2=0
>>>>>
>>>>>
>>>>> flopmx60=flopmxm
>>>>> flopdg60=flopdgm
>>>>>
>>>>> mflop=mflop/2
>>>>> i=0
>>>>> mindgm=4
>>>>> mindgv=4
>>>>> do k=4,maxdim+2
>>>>> i=i+1
>>>>> dim(i)=k
>>>>> if(k.gt.maxdim ) dim(i)=maxdim1
>>>>> if(k.gt.maxdim+1) dim(i)=maxdim2
>>>>>
>>>>> blastest,n=dim(i),ntrans=2,unroll=nroll,mxmblk=mxmblk,mxmbln=mxmblk,mflop=mflop
>>>>>
>>>>>
>>>>> flopmxma(i)=flopmxm
>>>>> flopdgem(i)=flopdgm
>>>>> flopmxmv(i)=flopmxv
>>>>> flopdgev(i)=flopdgv
>>>>> if(flopdgm.le.flopmxm) mindgm=dim(i)+1
>>>>> if(flopdgv.le.flopmxv) mindgv=dim(i)+1
>>>>> if(k.gt.max(mindgm,mindgv)) goto lab1:
>>>>> enddo
>>>>>
>>>>> lab1:
>>>>> if(mindgm.gt.maxdim2) mindgm=5000
>>>>> if(mindgv.gt.maxdim2) mindgv=5000
>>>>> mindgc=1
>>>>> do i=1,maxdim+2
>>>>> dim1(i)=i
>>>>> if(i.gt.maxdim ) dim1(i)=maxdim1
>>>>> if(i.gt.maxdim+1) dim1(i)=maxdim2
>>>>>
>>>>> blastest,n=60,ncol=dim1(i),ntrans=2,unroll=nroll,mxmblk=mxmblk,mxmbln=mxmblk,mflop=mflop,blas2=0
>>>>>
>>>>>
>>>>> flopmxma_c(i)=flopmxm
>>>>> flopdgem_c(i)=flopdgm
>>>>> if(flopdgm.le.flopmxm) mindgc=dim1(i)+1
>>>>> if(i.gt.mindgc) goto lab2:
>>>>> enddo
>>>>>
>>>>> lab2:
>>>>> if(mindgc.gt.maxdim2) mindgc=5000
>>>>> mindgr=1
>>>>> do i=1,maxdim+2
>>>>> dim1(i)=i
>>>>> if(i.gt.maxdim ) dim1(i)=maxdim1
>>>>> if(i.gt.maxdim+1) dim1(i)=maxdim2
>>>>>
>>>>> blastest,n=60,nrow=dim1(i),ntrans=2,unroll=nroll,mxmblk=mxmblk,mxmbln=mxmblk,mflop=mflop,blas2=0
>>>>>
>>>>>
>>>>> flopmxma_r(i)=flopmxm
>>>>> flopdgem_r(i)=flopdgm
>>>>> if(flopdgm.le.flopmxm) mindgr=dim1(i)+1
>>>>> if(i.gt.mindgr) goto lab3:
>>>>> enddo
>>>>>
>>>>> lab3:
>>>>> if(mindgr.gt.maxdim2) mindgr=5000
>>>>> mindgl=1
>>>>> do i=1,maxdim+2
>>>>> dim1(i)=i
>>>>> if(i.gt.maxdim ) dim1(i)=maxdim1
>>>>> if(i.gt.maxdim+1) dim1(i)=maxdim2
>>>>>
>>>>> blastest,n=60,nlink=dim1(i),ntrans=2,unroll=nroll,mxmblk=mxmblk,mxmbln=mxmblk,mflop=mflop,blas2=0
>>>>>
>>>>>
>>>>> flopmxma_l(i)=flopmxm
>>>>> flopdgem_l(i)=flopdgm
>>>>> if(flopdgm.le.flopmxm) mindgl=dim1(i)+1
>>>>> if(i.gt.mindgl) goto lab4:
>>>>> enddo
>>>>>
>>>>> lab4:
>>>>> if(mindgl.gt.maxdim2) mindgl=5000
>>>>> i=#dim+1
>>>>> dim(i)=60
>>>>> flopmxma(i)=flopmx60
>>>>> flopdgem(i)=flopdg60
>>>>>
>>>>> i=i+1
>>>>> dim(i)=480
>>>>> flopmxma(i)=flopmx480
>>>>> flopdgem(i)=flopdg480
>>>>>
>>>>>
>>>>> i=i+1
>>>>> dim(i)=960
>>>>> flopmxma(i)=flopmx960
>>>>> flopdgem(i)=flopdg960
>>>>>
>>>>> ncache=mxmblk*mxmblk*3
>>>>> mflop=2*mflop
>>>>>
>>>>> table,dim,flopmxma,flopdgem,flopmxmv,flopdgev
>>>>>
>>>>> table,dim1,flopmxma_c,flopdgem_c,flopmxma_r,flopdgem_r,flopmxma_l,flopdgem_l
>>>>>
>>>>>
>>>>> show,nroll,mxmblk,ncache,mindgm,mindgc,mindgl,mindgr,mindgv
>>>>>
>>>>>
>>>>> blastest,saverc,n=120,mxmblk=mxmblk,mxmbln=mxmblk,ncache=ncache,unroll=nroll\
>>>>>
>>>>>
>>>>>
>>>>> mindgm=mindgm,mindgl=mindgl,mindgc=mindgc,mindgv=mindgv,mindgr=mindgr,mflop=mflop
>>>>>
>>>>>
>>>>>
>>>>> if(nproc_mpp.gt.1) then
>>>>> blastest,saverc,mxma_mpp=1,n=960,mflop=3000
>>>>> end if
>>>>>
>>>>>
>>>>> Variables initialized (517), CPU time= .01 sec
>>>>> Commands initialized (293), CPU time= .01 sec, 434 directives.
>>>>> Default parameters read. Elapsed time= .34 sec
>>>>> Checking input...
>>>>> Passed
>>>>> 1
>>>>>
>>>>>
>>>>> *** PROGRAM SYSTEM
>>>>> MOLPRO ***
>>>>> Copyright, University College Cardiff
>>>>> Consultants Limited, 2004
>>>>>
>>>>> Version 2006.1 linked 26 Feb 2007
>>>>> 14:34:13
>>>>>
>>>>>
>>>>>
>>>>> **********************************************************************************************************************************
>>>>>
>>>>>
>>>>> LABEL *
>>>>> AIX-5.3/moldyn60(43P) 64 bit mpp version (xlf10.1.0.3/essl_r)
>>>>> DATE: 26-Feb-07 TIME: 14:39:18
>>>>>
>>>>> **********************************************************************************************************************************
>>>>>
>>>>>
>>>>>
>>>>> Patch level: 59
>>>>>
>>>>> **********************************************************************************************************************************
>>>>>
>>>>>
>>>>> SETTING MAXDIM = 32.00000000
>>>>> SETTING MAXDIM1 = 64.00000000
>>>>> SETTING MAXDIM2 = 180.00000000
>>>>>
>>>>> Variable memory set to 8000000 words, buffer space 230000 words
>>>>>
>>>>>
>>>>>
>>>>> Starting benchmark for BLAS routines with ncache= 16384 mxmblk=
>>>>> 48 mxmbln= 48 nspars= 2 nroll=4
>>>>>
>>>>> N= 120 L= 120 M= 120 NREP2= 6944 NREP3= 58 ITRA= 1
>>>>> ITRB= 1
>>>>> MXMA: CPU= .05 ( 4008.960 MFLOP)
>>>>>
>>>>> DGEMM : 2538-2005
>>>>> The size of the leading dimension (ARG NO. 8) of an array must be
>>>>> greater
>>>>> than zero.
>>>>>
>>>>> DGEMM : 2538-2005
>>>>> The size of the leading dimension (ARG NO. 10) of an array must be
>>>>> greater
>>>>> than zero.
>>>>>
>>>>> DGEMM : 2538-2005
>>>>> The size of the leading dimension (ARG NO. 13) of an array must be
>>>>> greater
>>>>> than zero.
>>>>>
>>>>> DGEMM : 2538-2099
>>>>> End of input argument error reporting. For more information, refer to
>>>>> Engineering and Scientific Subroutine Library Guide and Reference
>>>>> (SA22-7904).
>>>>>
>>>>> DGEMM : 2538-2604
>>>>> Execution terminating due to error count for error number 2099.
>>>>>
>>>>> DGEMM : 2538-2605
>>>>> Message summary: 2005 - 3
>>>>>
>>>>> DGEMM : 2538-2605
>>>>> Message summary: 2099 - 1
>>>>> STOP 1
>>>>> STOP 1
>>>>> ERROR: 0031-300 Forcing all remote tasks to exit due to exit code 1
>>>>> in task 0
>>>>>
>>>>> It seems that the routine DGEMM is called with incorrect parameters?
>>>>> Note that when we use
>>>>>
>>>>> FTCFLAGS="mpp eaf blas4"
>>>>>
>>>>> instead of
>>>>>
>>>>> FTCFLAGS="mpp eaf blas1 blas2 blas3"
>>>>>
>>>>> the problem disappears. This should not be necessary since the essl
>>>>> libraries contain both 64 and 32 bit versions of the BLAS and LAPACK
>>>>> routines. We would really like to perform a native 64bit compilation.
>>>>> Have there been successful 64bit-builds for AIX 5.3. We would be very
>>>>> interested in details to get a fully working binary?
>>>>>
>>>>>
>>>>> best regards,
>>>>>
>>>>> Toon Verstraelen
>>>>>
>>>>>
>>>>>
>>>>>
>>>>> P.S. Here are some details about the configuration of our system:
>>>>>
>>>>>
>>>>> IBM XL Fortran Enterprise Edition V10.1 for AIX,Version:
>>>>> 10.01.0000.0003
>>>>> IBM XL C/C++ Enterprise Edition V8.0 for AIX,Version: 08.00.0000.0012
>>>>> essl.rte.common 4.2.0.4
>>>>> Global arrays 4-0-1, compiled with 'gmake TARGET=LAPI64'
>>>>> Molpro 2006.1 CONFIG file:
>>>>>
>>>>> # MOLPRO CONFIG generated at Wed Feb 14 12:28:48 NFT 2007 with version
>>>>> 2006.1
>>>>> # for host moldyn60, architecture unix unix-i8 unix-ibm
>>>>> #
>>>>> # insert additional hosts before moldyn60 in above line, if desired
>>>>> #
>>>>> ARCHITECTURE="unix unix-i8 unix-ibm mpp"
>>>>>
>>>>> #If you have a POWER2 machine, consider adding -qarch=pwr2 to the FOPT
>>>>> options. Power3 should just work.
>>>>>
>>>>> # Compilers ..
>>>>> CC="cc -q64 -qmaxmem=-1"
>>>>> FC="/usr/bin/xlf_r -I.
>>>>> -I/home/toon/tmp/build/molpro.2006.1/molpro2006.1/src -NA16384
>>>>> -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm
>>>>> -qarch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc"
>>>>> F90="/usr/bin/xlf_r -I.
>>>>> -I/home/toon/tmp/build/molpro.2006.1/molpro2006.1/src -NA16384
>>>>> -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm
>>>>> -qarch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc -qsuffix=f=f90
>>>>> -qfree=f90"
>>>>> # compiler command to be used only when linking molpro.exe .. eg mpxlf
>>>>> on IBM SP
>>>>> LINKFC="/usr/bin/xlf_r -I.
>>>>> -I/home/toon/tmp/build/molpro.2006.1/molpro2006.1/src -NA16384
>>>>> -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm
>>>>> -qarch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc"
>>>>> YACC="yacc"
>>>>> ARFLAGS="-X64 -r"
>>>>> PERL="1"
>>>>> PERLEXE="/usr/bin/perl"
>>>>> PERLVERSION="5.008002"
>>>>> # C defines
>>>>> # nb SEEK is disk seek speed in seconds
>>>>> # SPEED is disk transfer rate in 8 bytes/second
>>>>> # compiler optimisation
>>>>> COPT="-O2"
>>>>> FOPT="-O3"
>>>>> # compiler explicit no optimisation
>>>>> CDEF="-DSEEK=.001 -DSPEED=200000 -qarch=auto -DI64 -q64 -qwarn64
>>>>> -DAIX42 -DAIX5 -DNOALRM -DUSE_LAPI -DMPIGM_FORMAT=1 -DHAVE_INTTYPES_H
>>>>> -DMOLPRO_GETOPTLONG -DMA_ALLOC -DMOLPROC_PAR"
>>>>> CNOPT=" "
>>>>> COPT1="-O1"
>>>>> COPT2="-O2"
>>>>> FNOPT=" "
>>>>> FOPT1="-O1"
>>>>> FOPT2="-O2"
>>>>> FOPT3="-O3 -qnosave"
>>>>> # compiler debug flag
>>>>> CDEBUG="-g"
>>>>> FDEBUG="-g"
>>>>> # static variables
>>>>> FSTATIC=" "
>>>>> # 64-bit integers
>>>>> FI64="-qintsize=8"
>>>>> # profiling
>>>>> FPROFILE="-p"
>>>>> CPROFILE="-p"
>>>>> # additional pre-processor flags
>>>>> FTCFLAGS="mpp eaf blas1 blas2 blas3"
>>>>> # additional directories to be compiled in mpp case
>>>>> MPPDIR="mpp"
>>>>> SLATERDIR=""
>>>>> # additional libraries and link options
>>>>> LIBS=" "
>>>>> LINKOPT=" "
>>>>> # non-standard location of system libraries
>>>>> LIBDIR="/home/toon/tmp/build/ga-4-0-1/lib/LAPI64"
>>>>> # GKS X-windows library
>>>>> GKSLIB="-lgks0"
>>>>> # BLAS library
>>>>> BLASLIB="-lessl_r"
>>>>> # LAPACK library
>>>>> LAPACKLIB=""
>>>>> # MPP?
>>>>> MPP="1"
>>>>> MPPX="0"
>>>>> SLATER=0
>>>>> WRAPPER="/usr/bin/poe"
>>>>> USE_MPI=""
>>>>> USE_LAPI="1"
>>>>> USE_MYRINET=""
>>>>> MPI_LIB=""
>>>>> MPPNAME="lapi"
>>>>> ARCHNAME=""
>>>>> MPITYPE=""
>>>>> MPIBASEDIR=""
>>>>> MYRINET_LIB=""
>>>>> MYRINET_LINKPARS=""
>>>>> MPIGM_FORMAT="1"
>>>>> USE_GIO="0"
>>>>> USE_GATOOLS="0"
>>>>> # files in src/ to be compiled without optimization
>>>>> F77VERSION="10.1.0.3"
>>>>> FORTVERSION="xlf10.1.0.3"
>>>>> NO_OPT=""
>>>>> F_OPT1="mrci/ciinp.f sapt/response.f90"
>>>>> F_OPT2="Molcas/pget2.f dtraf/dtfint2.f blas/mxm.f blas/mxm3.f
>>>>> blas/mxm4.f local/mxmadd.f"
>>>>> F_OPT3="explicit/explicit_util.f util/getvar.f eom/ldip.f"
>>>>> C_OPT1=" "
>>>>> C_OPT2=" "
>>>>> # ranlib command (if not needed, true)
>>>>> RANLIB="true"
>>>>> # ls command to get user and group
>>>>> LSFULL="ls -l"
>>>>> # cp -p if it exists, else cp
>>>>> CP="cp -p"
>>>>> # tar command
>>>>> TAR="tar"
>>>>> # awk command
>>>>> AWK="awk"
>>>>> # strip command
>>>>> STRIP="strip -X 32_64"
>>>>> # installation directories
>>>>> INSTBIN="/software/molpro/2006.1/bin"
>>>>> INSTLIB="/software/molpro/2006.1/lib"
>>>>> INSTHTML="/software/molpro/2006.1/doc"
>>>>> INSTCGI="/software/molpro/2006.1/doc"
>>>>> # makedepend configuration
>>>>> MAKEDEPEND_OPTIONS=""
>>>>> MODULE_SUFFIX="mod"
>>>>> MODULE_FLAG="-I"
>>>>> # non-default libraries
>>>>> LIBDIR_lapi=/home/toon/tmp/build/ga-4-0-1/lib/LAPI64
>>>>> WRAPPER_lapi=/usr/bin/poe
>>>>> LINKFC_lapi="/usr/bin/mpxlf_r -I.
>>>>> -I/home/toon/tmp/build/molpro.2006.1/molpro2006.1/src -NA16384
>>>>> -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm
>>>>> -qarch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc "
>>>>> LINKFC_mpi="/usr/bin/mpxlf_r -I.
>>>>> -I/home/toon/tmp/build/molpro.2006.1/molpro2006.1/src -NA16384
>>>>> -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm
>>>>> -qarch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc "
>>>>> PARSE=parse-rs6000-ibm-aix5.3.0.0-i8.o.gz
>>>>
>>>>
>>>>
>>
>>
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