Makefile Errors in the Compilation CP2K v. 2.3 in a IBM PowerPC Cluster ??

[Sidney R. Santana]

Dear CP2K Users,

Good Day, Good Afternoon, or Good Night.

My name is Sidney.

I am trying to install the CP2K v. 2.3 in a IBM PowerPC cluster with the following

architecture variables, defined in a file named AIX-PowerPC_POWER7.psmp:

CC       = cc
CPP      = cpp
FC       = mpxlf95_r -qsuffix=f=f90
LD       = mpxlf95_r
AR       = ar -r -X64
DFLAGS   = -D__AIX -D__ESSL -D__FFTSG -D__FFTESSL\
           -D__parallel -D__BLACS -D__SCALAPACK
CPPFLAGS = -C $(DFLAGS) -P
FCFLAGS  = -qsmp=omp,noauto -O3 -w -q64 -qarch=pwr7 -qcache=auto -qmaxmem=-1 -qtune=pwr7
FCFLAGS2 = -O0 -q64 -qarch=pwr7 -w -qcache=auto -qmaxmem=-1 -qtune=pwr7
LDFLAGS  = $(FCFLAGS) -L/usr/lib -L/usr/local/lib -bnoquiet \
           -bmaxdata:0x800000000  -bmaxstack:0x80000000
LIBS     = -lscalapack -lblacs -llapack -lpesslsmp -lesslsmp -lmass

OBJECTS_ARCHITECTURE = machine_aix.o

pint_types.o: pint_types.F
        $(FC) -c $(FCFLAGS2) $<

I am typing:

make ARCH=AIX-PowerPC_POWER7 VERSION=psmp

But, unfortunately the compilation process stops rapidly and writes the

following message:

"Makefile", line 22: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 23: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 74: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 174: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 176: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 179: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 181: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 183: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 185: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 195: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 200: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 202: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 207: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 209: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 216: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 217: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 227: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 229: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 230: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 232: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 234: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 235: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 245: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 247: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 249: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 285: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 287: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 291: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 293: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 297: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 299: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 303: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 305: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 312: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 314: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 316: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 320: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 322: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 324: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 327: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 329: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 332: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 348: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 350: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 354: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 356: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 389: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 392: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 394: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 395: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 396: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 400: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 401: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 494: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 496: make: 1254-055 Dependency line needs colon or double colon operator.
"Makefile", line 500: make: 1254-055 Dependency line needs colon or double colon operator.
"", line 0: make: 1254-027 Cannot open .
"Makefile", line 502: make: 1254-055 Dependency line needs colon or double colon operator.
make: 1254-058 Fatal errors encountered -- cannot continue.

Please, what is wrong ?
Please, could you help me ?

Best regards.

Sidney
--------
Sidney Ramos de Santana
Lab. de Química Quântica e Computacional (LQQC)
Departamento de Quimica (DQ)
Centro de Ciências Exatas e da Natureza (CCEN)
Universidade Federal da Paraiba (UFPB)
Adress: Campus I - João Pessoa - PB - Brazil
Zipcode: 58.051-900 P.O. Box.: 5079
E-mails: santanaramossidney_at_gmail.com
             santanasidney_at_quimica.ufpb.br

[Matt W]

Hi,

I seem to remember that you need to use "gmake" not "make" to call the gnu utility rather than some strange IBM one.

Matt

[Sidney R. Santana]

Dear CP2K User,

Good Day, Good afternoon, or Good night.

PS: Thanks Matt for your tips.

When I typed:

gmake ARCH=AIX-PowerPC_POWER7 VERSION=psmp

The follow error happens:

gmake LDFLAGS= -C /home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/makefiles/../obj/AIX-PowerPC_POWER7/tools -f /home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/makefiles/../makefiles/Makefile makedepf90
gmake[1]: Entering directory `/home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/obj/AIX-PowerPC_POWER7/tools'
test -d /home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/makefiles/../obj/AIX-PowerPC_POWER7/tools/makedepf90-build || ( mkdir makedepf90-build ; cp /home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/makefiles/../tools/makedepf90/* makedepf90-build )
{ cd makedepf90-build ; ./configure --prefix=/home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/makefiles/../obj/AIX-PowerPC_POWER7/tools --bindir=/home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/makefiles/../obj/AIX-PowerPC_POWER7/tools ; gmake VERSION="2.8.8cp2k" ; gmake install ; }
checking for gcc... gcc
checking for C compiler default output file name... a.out
checking whether the C compiler works... yes
checking whether we are cross compiling... no
checking for suffix of executables...
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether gcc accepts -g... yes
checking for gcc option to accept ANSI C... none needed
checking for flex... no
checking for lex... no
checking for yywrap in -lfl... no
checking for yywrap in -ll... no
checking for bison... no
checking for byacc... no
checking for a BSD-compatible install... /home/ibm/proj/proj518/santana/programs.ibm/g09.c01/g09/bsd/install -c
checking how to run the C preprocessor... gcc -E
checking for egrep... grep -E
checking for working alloca.h... yes
checking for alloca... yes
checking for strcasecmp... yes
configure: creating ./config.status
config.status: creating Makefile
config.status: creating config.h
config.status: config.h is unchanged
gmake[2]: Entering directory `/home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/obj/AIX-PowerPC_POWER7/tools/makedepf90-build'
gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" errormesg.c
gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" list.c
gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" macro.c
gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" main.c
gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" modfile_name.c
gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" utils.c
gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" xmalloc.c
gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" find_dep.c
Assembler:
/tmp//ccf9Luwn.s: line 813: 1252-040 The specified expression is not valid.
        Make sure that all symbols are defined.
        Check the rules on symbols used in an arithmetic expression
        concerning relocation.
/tmp//ccf9Luwn.s: line 817: 1252-040 The specified expression is not valid.
        Make sure that all symbols are defined.
        Check the rules on symbols used in an arithmetic expression
        concerning relocation.
/tmp//ccf9Luwn.s: line 835: 1252-040 The specified expression is not valid.
        Make sure that all symbols are defined.
        Check the rules on symbols used in an arithmetic expression
        concerning relocation.
gmake[2]: *** [find_dep.o] Error 1
gmake[2]: Leaving directory `/home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/obj/AIX-PowerPC_POWER7/tools/makedepf90-build'
gmake[2]: Entering directory `/home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/obj/AIX-PowerPC_POWER7/tools/makedepf90-build'
gcc -c -g -O2 -DVERSION=\"psmp\" find_dep.c
Assembler:
/tmp//ccIGTpEa.s: line 813: 1252-040 The specified expression is not valid.
        Make sure that all symbols are defined.
        Check the rules on symbols used in an arithmetic expression
        concerning relocation.
/tmp//ccIGTpEa.s: line 817: 1252-040 The specified expression is not valid.
        Make sure that all symbols are defined.
        Check the rules on symbols used in an arithmetic expression
        concerning relocation.
/tmp//ccIGTpEa.s: line 835: 1252-040 The specified expression is not valid.
        Make sure that all symbols are defined.
        Check the rules on symbols used in an arithmetic expression
        concerning relocation.
gmake[2]: *** [find_dep.o] Error 1
gmake[2]: Leaving directory `/home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/obj/AIX-PowerPC_POWER7/tools/makedepf90-build'
gmake[1]: *** [makedepf90] Error 2
gmake[1]: Leaving directory `/home/ibm/proj/proj518/santana/programs.ibm/cp2k-2.3/obj/AIX-PowerPC_POWER7/tools'
gmake: *** [deptool] Error 2

Please could you help me?

Best Regards.

Sidney
--------------------------------------------------