- Posts: 1
- Thank you received: 0
If you run into troubles, it is always a good habit to report the following information:
as well as the value of the relevant environmental variables, such OMP_NUM_THREADS, etc.
This information helps us a lot when figuring out what is going on with your compilation
- the way build.mrcc was invoked
- the output of build.mrcc
- compiler version (for example: ifort -V, gfortran -v)
- blas/lapack versions
- as well as gcc and glibc versions
as well as the value of the relevant environmental variables, such OMP_NUM_THREADS, etc.
This information helps us a lot when figuring out what is going on with your compilation
Error when compiling MRCC with Molpro 2012.1
- emsocchuot
- Topic Author
- Offline
- New Member
Less
More
9 years 4 months ago - 9 years 4 months ago #174
by emsocchuot
Error when compiling MRCC with Molpro 2012.1 was created by emsocchuot
Dear MRCC Team and Users,
I am trying to compile MRCC with Molpro 2012.1 interface. This is my configure to compile Molpro
./configure -batch -ifort -icc -blaspath /home/user10/bin/intel-2015/composer_xe_2015.0.090/mkl/lib/intel64 -mpp -openmpi -mppbase /home/user10/bin/ompi-1.8.5-gnu/include
export PATH=$PATH:/home/user10/bin/intel-2015/composer_xe_2015.0.090/bin/intel64
Everything was ok with Molpo, and then I extracted mrcc.2015-05-28.tar.gz and compiled MRCC as what Molpro's website shows:
mkdir mrcc
tar -C mrcc -xzf mrcc.2015-05-28.tar.gz
make mrcc
The error happened during the compilation of MRCC. This is the error output:
make[1]: Entering directory `/home/user10/bin/molpro-2012.1.0-openmpi/mrcc'
$(FC) -c $(FFLAGS) -fpp -O3 goldstone.f
$(FC) -c $(FFLAGS) -fpp -O3 mem.f
$(FC) -c $(FFLAGS) -fpp -O3 combin.f
$(FC) -c $(FFLAGS) -fpp -O3 qsorti.f
$(CC) -c $(CFLAGS) -O2 xalloc.c
linking ../bin/goldstone
failed
ifort: command line remark #10010: option '-vec-report0' is deprecated and will be removed in a future release. See '-help deprecated'
combin.o: In function `syminv_':
combin.f:(.text+0x572e): undefined reference to `dsptrf_'
combin.f:(.text+0x5775): undefined reference to `dsptri_'
combin.o: In function `syminvpd_':
combin.f:(.text+0x5bf1): undefined reference to `dpotrf_'
combin.f:(.text+0x5c1f): undefined reference to `dpotri_'
combin.o: In function `invsqrt_':
combin.f:(.text+0x5f6f): undefined reference to `dsyev_'
combin.f:(.text+0x621a): undefined reference to `dcopy_'
combin.f:(.text+0x62ad): undefined reference to `dscal_'
combin.f:(.text+0x63ac): undefined reference to `dgemm_'
combin.f:(.text+0x63e1): undefined reference to `dcopy_'
combin.f:(.text+0x662e): undefined reference to `dsptrf_'
combin.f:(.text+0x666f): undefined reference to `dsptri_'
combin.f:(.text+0x68cc): undefined reference to `dpptrf_'
make[1]: *** [../bin/goldstone] Error 1
make[1]: Leaving directory `/home/user10/bin/molpro-2012.1.0-openmpi/mrcc'
make: *** [mrcc] Error 2
Could you help me to solve this problem? Thanks.
I am trying to compile MRCC with Molpro 2012.1 interface. This is my configure to compile Molpro
./configure -batch -ifort -icc -blaspath /home/user10/bin/intel-2015/composer_xe_2015.0.090/mkl/lib/intel64 -mpp -openmpi -mppbase /home/user10/bin/ompi-1.8.5-gnu/include
export PATH=$PATH:/home/user10/bin/intel-2015/composer_xe_2015.0.090/bin/intel64
Everything was ok with Molpo, and then I extracted mrcc.2015-05-28.tar.gz and compiled MRCC as what Molpro's website shows:
mkdir mrcc
tar -C mrcc -xzf mrcc.2015-05-28.tar.gz
make mrcc
The error happened during the compilation of MRCC. This is the error output:
make[1]: Entering directory `/home/user10/bin/molpro-2012.1.0-openmpi/mrcc'
$(FC) -c $(FFLAGS) -fpp -O3 goldstone.f
$(FC) -c $(FFLAGS) -fpp -O3 mem.f
$(FC) -c $(FFLAGS) -fpp -O3 combin.f
$(FC) -c $(FFLAGS) -fpp -O3 qsorti.f
$(CC) -c $(CFLAGS) -O2 xalloc.c
linking ../bin/goldstone
failed
ifort: command line remark #10010: option '-vec-report0' is deprecated and will be removed in a future release. See '-help deprecated'
combin.o: In function `syminv_':
combin.f:(.text+0x572e): undefined reference to `dsptrf_'
combin.f:(.text+0x5775): undefined reference to `dsptri_'
combin.o: In function `syminvpd_':
combin.f:(.text+0x5bf1): undefined reference to `dpotrf_'
combin.f:(.text+0x5c1f): undefined reference to `dpotri_'
combin.o: In function `invsqrt_':
combin.f:(.text+0x5f6f): undefined reference to `dsyev_'
combin.f:(.text+0x621a): undefined reference to `dcopy_'
combin.f:(.text+0x62ad): undefined reference to `dscal_'
combin.f:(.text+0x63ac): undefined reference to `dgemm_'
combin.f:(.text+0x63e1): undefined reference to `dcopy_'
combin.f:(.text+0x662e): undefined reference to `dsptrf_'
combin.f:(.text+0x666f): undefined reference to `dsptri_'
combin.f:(.text+0x68cc): undefined reference to `dpptrf_'
make[1]: *** [../bin/goldstone] Error 1
make[1]: Leaving directory `/home/user10/bin/molpro-2012.1.0-openmpi/mrcc'
make: *** [mrcc] Error 2
Could you help me to solve this problem? Thanks.
Last edit: 9 years 4 months ago by emsocchuot.
Please Log in or Create an account to join the conversation.
- kallay
- Offline
- Administrator
- Mihaly Kallay
9 years 4 months ago #175
by kallay
Best regards,
Mihaly Kallay
Replied by kallay on topic Error when compiling MRCC with Molpro 2012.1
The makefile of that Molpro version is not compatible with the latest mrcc version. To fix this the $(MRCCLIB) libraries should be linked with executable goldstone. To that end please edit the molpro-2012.1.0-openmpi/src/make/mrcc.mk makefile, and insert $(MRCCLIB) before $(LIBS) in the line after the first appearance of "echo linking".
Alternatively, you can download an earlier version of mrcc from our website.
Alternatively, you can download an earlier version of mrcc from our website.
Best regards,
Mihaly Kallay
The following user(s) said Thank You: emsocchuot
Please Log in or Create an account to join the conversation.
Time to create page: 0.038 seconds