some small changes on the installation scripts, IMKL now works with gfortran, more verbosity and more sanity checks

code/Makefile

@@ -82,31 +82,37 @@ ifeq  "$(PORTABLE)" "FALSE"
 PORTABLE_SWITCH =-msse3
 endif
 
+# names for linking IMKL
+IMKL_COMPILER_ifort :=intel
+IMKL_COMPILER_gfortran :=gf
+IMKL_COMPILER2_ifort :=intel
+IMKL_COMPILER2_gfortran :=gnu
+
 # settings for multicore support
 ifeq "$(OPENMP)" "ON"
 OPENMP_FLAG_ifort =-openmp -openmp-report0 -parallel
 OPENMP_FLAG_gfortran =-fopenmp
 ACML_ARCH =_mp
-IMKL_ARCH =_intel_thread
+IMKL_ARCH =$(IMKL_COMPILER2_$(F90))_thread
 LIBRARIES +=-lfftw3_threads -lpthread
 else
-IMKL_ARCH =_sequential
+IMKL_ARCH =$(IMKL_COMPILER2_$(F90))_sequential
 endif
 
 ifneq  "x$(IMKL_ROOT)" "x"
 LIB_DIRS  :=-L$(IMKL_ROOT)/lib/intel64
-RUN_PATH  +=$(RUNPATH) -Wl,-rpath=$(IMKL_ROOT)/lib/intel64
+RUN_PATH  +=$(RUNPATH),-rpath=$(IMKL_ROOT)/lib/intel64
 INCLUDE_DIRS +=-I$(IMKL_ROOT)/include
-LIBRARIES +=-lmkl_intel_lp64 -lmkl_core -lmkl$(IMKL_ARCH) -lm -lpthread -liomp5
+LIBRARIES +=-lmkl_$(IMKL_COMPILER_$(F90))_lp64 -lmkl_core -lmkl_$(IMKL_ARCH) -lm -lpthread -liomp5
 else
 ifneq  "x$(ACML_ROOT)" "x"
 LIB_DIRS  +=-L$(ACML_ROOT)/$(F90)64$(ACML_ARCH)/lib
-RUN_PATH  +=$(RUNPATH) -Wl,-rpath=$(ACML_ROOT)/$(F90)64$(ACML_ARCH)/lib
+RUN_PATH  +=$(RUNPATH),-rpath=$(ACML_ROOT)/$(F90)64$(ACML_ARCH)/lib
 LIBRARIES +=-lacml$(ACML_ARCH)
 else
 ifneq  "x$(LAPACK_ROOT)" "x"
 LIB_DIRS  +=-L$(LAPACK_ROOT)/lib64 -L$(LAPACK_ROOT)/lib
-RUN_PATH  +=$(RUN_PATH) -Wl,-rpath=$(LAPACK_ROOT)/lib64 -Wl,-rpath=$(LAPACK_ROOT)/lib
+RUN_PATH  +=$(RUN_PATH),-rpath=$(LAPACK_ROOT)/lib64,-rpath=$(LAPACK_ROOT)/lib
 LIBRARIES +=-llapack
 endif
 endif
@@ -116,7 +122,7 @@ endif
 ifeq "$(HDF5)" "ON"
 LIBRARIES +=-lhdf5hl_fortran -lhdf5_hl -lhdf5_fortran -lhdf5
 LIB_DIRS  +=-L$(HDF5_ROOT)/lib
-RUN_PATH  +=$(RUNPATH) -Wl,-rpath=$(HDF5_ROOT)/lib
+RUN_PATH  +=$(RUNPATH),-rpath=$(HDF5_ROOT)/lib
 INCLUDE_DIRS +=-I$(HDF5_ROOT)/include -DHDF
 endif
 

configure

@@ -142,9 +142,16 @@ if options.compiler not in ['ifort','gfortran']:
 if not subprocess.call(['which', options.compiler],stdout=subprocess.PIPE, stderr=subprocess.PIPE) == 0:
   print('Compiler Warning: executable %s not found!'%options.compiler)
 
-for lib in ['libfftw3.so','libfftw3.a']:
+
-  if not os.path.isfile(os.path.join(options.fftwRoot,'lib/%s'%lib)):
+if os.path.isdir(os.path.join(options.fftwRoot,'lib64')):
-    print('FFTW Warning: %s not found in %s!'%(lib,os.path.join(options.fftwRoot,'lib')))
+  fftwLocation = os.path.join(options.fftwRoot,'lib64')
+else:
+  fftwLocation = os.path.join(options.fftwRoot,'lib')
+
+for lib in ['libfftw3.so','libfftw3.a',\
+            'libfftw3_threads.so','libfftw3_threads.a']:
+  if not os.path.isfile(os.path.join(fftwLocation,lib)):
+    print('FFTW Warning: %s not found in %s!'%(lib,os.path.join(fftwLocation,lib)))
 
 if not os.path.isdir(options.mscRoot):
   print('MSC.Marc/Mentat Warning: Root directory %s not found!'%options.mscRoot)
@@ -167,14 +174,13 @@ elif options.blasType == 'ACML':
     if not os.path.isfile(os.path.join(blasLocationParallel,lib)): 
       print('ACML Warning: %s not found in %s!'%(lib,blasLocationParallel))
 elif options.blasType == 'IMKL':
-  if options.compiler == 'gfortran':
-    print('Error: IMKL does not support gfortran')
-    sys.exit(1)
   blasLocation=os.path.join(options.blasRoot,'lib/intel64')
   for lib in ['libmkl_core.so','libmkl_core.a',\
               'libmkl_sequential.so','libmkl_sequential.a',\
               'libmkl_intel_thread.so','libmkl_intel_thread.a',\
-              'libmkl_intel_lp64.so','libmkl_intel_lp64.a']:
+              'libmkl_intel_lp64.so','libmkl_intel_lp64.a,'\
+              'libmkl_gnu_thread.so','libmkl_gnu_thread.a',\
+              'libmkl_gf_lp64.so','libmkl_gf_lp64.a']:
     if not os.path.isfile(os.path.join(blasLocation,lib)): 
       print('IMKL Warning: %s not found in %s!'%(lib,blasLocation))
 else:
@@ -182,7 +188,7 @@ else:
   sys.exit(1)
 
 
-#--- try to read config file (to keep comments and order) ----------------------------------------------
+#--- read config file if present to keep comments and order ---------------------------------------
 output = []
 try: 
   with open(configFile,'r') as f:
@@ -210,6 +216,9 @@ try:
         if items[0] == '%s_ROOT'%blasType and items[0] == '%s_ROOT'%options.blasType:
           line = '%s=%s\n'%(items[0],options.blasRoot)
           options.blasType=''
+        elif items[0] == '#%s_ROOT'%blasType and items[0] == '#%s_ROOT'%options.blasType:
+          line = '%s=%s\n'%(items[0][1:],options.blasRoot)
+          options.blasType=''
         elif items[0] == '%s_ROOT'%blasType: line = '#'+line
       for spectralOption in options.spectraloptions:
         [key,value] = re.split('[= ]',spectralOption)[0:2]
@@ -250,4 +259,5 @@ else:
 print('\n-----\n writing values to %s\n-----'%configFileNew)
 with open(configFileNew,'w') as f:
   for line in output:
+    print(line.rstrip('\n'))
     f.write(line)

installation/compile_CoreModule.py

@@ -45,18 +45,23 @@ compiler = {
 compileOptions =' -DSpectral -DFLOAT=8 -DINT=4 -I%s/lib'%damaskEnv.rootDir()
 
 #--- this saves the path of libraries to core.so, hence it is known during runtime ----------------
-LDFLAGS ='-shared -Wl,-rpath=%s/lib'%(options['FFTW_ROOT'])
+LDFLAGS ='-shared -Wl,-rpath=%s/lib,-rpath=%s/lib64'%(options['FFTW_ROOT'],options['FFTW_ROOT'])
 
 # see http://cens.ioc.ee/pipermail/f2py-users/2003-December/000621.html
-if   options['IMKL_ROOT'] != '' and options['F90'] != 'gfortran':
+if options['IMKL_ROOT']:
-  lib_lapack = '-L%s/lib/intel64 -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -lpthread -lm -liomp5'%options['IMKL_ROOT']
+  if options['F90'] == 'gfortran':
-  LDFLAGS +=' -Wl,-rpath=%s/lib/intel64'%(options['IMKL_ROOT'])
+    arch = 'gf'
+  elif options['F90'] == 'ifort':
+    arch = 'intel'
+  lib_lapack = '-L%s/lib/intel64 -lmkl_%s_lp64 -lmkl_core -lmkl_sequential -lpthread -lm -liomp5'\
+                                                                      %(options['IMKL_ROOT'],arch)
+  LDFLAGS +=',-rpath=%s/lib/intel64'%(options['IMKL_ROOT'])
 elif options['ACML_ROOT'] != '':
   lib_lapack = '-L%s/%s64/lib  -lacml'%(options['ACML_ROOT'],options['F90'])
-  LDFLAGS +=' -Wl,-rpath=%s/%s64/lib'%(options['ACML_ROOT'],options['F90'])
+  LDFLAGS +=',-rpath=%s/%s64/lib'%(options['ACML_ROOT'],options['F90'])
 elif options['LAPACK_ROOT'] != '':
   lib_lapack = '-L%s/lib -L%s/lib64  -llapack'%(options['LAPACK_ROOT'],options['LAPACK_ROOT'])
-  LDFLAGS +=' -Wl,-rpath=%s/lib -Wl,-rpath=%s/lib64'%(options['LAPACK_ROOT'],options['LAPACK_ROOT'])
+  LDFLAGS +=',-rpath=%s/lib,-rpath=%s/lib64'%(options['LAPACK_ROOT'],options['LAPACK_ROOT'])
 
 #--------------------------------------------------------------------------------------------------
 # f2py does not (yet) support setting of special flags for the linker, hence they must be set via 

installation/mods_Abaqus/abaqus_v6.env

@@ -29,12 +29,18 @@ fortCmd = "ifort"
 # -assume byterecl             count record length in bytes
 # -real-size 64 -DFLOAT=8      assume size of real to be 8 bytes, matches our definition of pReal
 # -integer-size 32 -DINT=4     assume size of integer to be 4 bytes, matches our definition of pInt
+# -L/usr/lib64 -L/usr/lib      search path for lapack libraries
+# -Wl,-rpath=/usr/lib64,-rpath=/usr/lib run path for lapack libraries
+# -llapack                     link against lapack
 
 compile_fortran = (fortCmd + " -c -fPIC -auto " + 
                    "-I%I -I../lib -free -O1 -fpp -openmp " +
                    "-ftz -diag-disable 5268 " +
                    "-implicitnone -assume byterecl " +
-                   "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4")
+                   "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4" +
+                   "-L/usr/lib64 -L/usr/lib" +
+                   "-Wl,-rpath=/usr/lib64,-rpath=/usr/lib" +
+                   "-llapack")
 
 # Abaqus/CAE will generate an input file without parts and assemblies.
 cae_no_parts_input_file=ON