import z2pack error

[Wei Li]

Dear Dominik Gresch,

Thanks a lot.

I activated py35 and it works.

Do I need to change any parameters if I want to run the example given here:
https://github.com/Z2PackDev/Z2Pack/tree/master/2.0.x/examples/fp/Bi_vasp <https://github.com/Z2PackDev/Z2Pack/tree/master/2.0.x/examples/fp/Bi_vasp>

I run it directly and I got the attached output, I did not find any error in output file or log file, but the process is terminated.

Regards
Wei Li


> On Feb 8, 2017, at 4:53 AM, Dominik Gresch <greschd at phys.ethz.ch> wrote:
> 
> Dear Wei Li,
> 
> The python version on which you installed Z2Pack (3.5.2) is probably not the same as you are using to run the script. Since it seems you are using a virtualenv (py35) when running Python from the command line, you should make sure the same virtualenv is also active in your job (i.e., "source py35/bin/activate" in your script).
> 
> Best regards,
> 
> Dominik Gresch
> On 08.02.2017 10:31, Wei Li wrote:
>> Dear Z2pack team,
>> 
>> I have complied Wannier90 1.2 on top of VASP, and then I downloaded and installed z2pack like below:
>> 
>> (py35) [verali at farber input]$ python
>> Python 3.5.2 |Anaconda 4.2.0 (64-bit)| (default, Jul  2 2016, 17:53:06) 
>> [GCC 4.4.7 20120313 (Red Hat 4.4.7-1)] on linux
>> Type "help", "copyright", "credits" or "license" for more information.
>> >>> import z2pack
>> >>> z2pack.__version__
>> '2.0.3'
>> >>> 
>> 
>> I think this means I have successfully installed z2pack, right?
>> 
>> But when I run run.py script, it had the error:
>> 
>>   File "run.py", line 14, in <module>
>> Traceback (most recent call last):
>>   File "run.py", line 14, in <module>
>>     import z2pack
>> ImportError: No module named z2pack
>> Traceback (most recent call last):
>>   File "run.py", line 14, in <module>
>> 
>> 
>> Below is my job file:
>> 
>> 
>> 
>> vpkg_require intel/2015.3.187
>> vpkg_require openmpi/1.8.5
>> 
>> #$ -pe mpi 40 
>> #$ -l m_mem_free=3G
>> #$ -l h_cpu=09:00:00
>> ##$ -l exclusive=1
>> 
>> MY_EXE="/home/work/mtg/users/bin/vasp_ncl"
>> 
>> MY_EXE_ARGS=()
>> 
>> #
>> # Uncomment to enable lots of additional information as OpenMPI executes
>> # your job:
>> #
>> #SHOW_MPI_DEBUGGING=YES
>> 
>> ##
>> ## You should NOT need to change anything after this comment.
>> ##
>> OPENMPI_FLAGS="--display-map --mca btl ^openib --mca oob_tcp_if_exclude lo,ib0 --mca btl_tcp_if_exclude lo,ib0"
>> if [ "${WANT_CPU_AFFINITY:-NO}" = "YES" ]; then
>>   OPENMPI_FLAGS="${OPENMPI_FLAGS} --bind-to core"
>> fi
>> if [ "${WANT_NPROC:-0}" -gt 0 ]; then
>>   OPENMPI_FLAGS="${OPENMPI_FLAGS} --np ${WANT_NPROC} --map-by node"
>> fi
>> if [ "${SHOW_MPI_DEBUGGING:-NO}" = "YES" ]; then
>>   OPENMPI_FLAGS="${OPENMPI_FLAGS} --debug-devel --debug-daemons --display-devel-map --display-devel-allocation --mca mca_verbose 1 --mca coll_base_verbose 1 --mca ras_base_verbose 1 --mca ras_gridengine_debug 1 --mca ras_gridengine_verbose 1 --mca btl_base_verbose 1 --mca mtl_base_verbose 1 --mca plm_base_verbose 1 --mca pls_rsh_debug 1"
>>   if [ "${WANT_CPU_AFFINITY:-NO}" = "YES" ]; then
>>     OPENMPI_FLAGS="${OPENMPI_FLAGS} --report-bindings"
>>   fi
>> fi
>> 
>> echo "GridEngine parameters:"
>> echo "  mpirun        = "`which mpirun`
>> echo "  nhosts        = $NHOSTS”
>> echo "  nproc         = $NSLOTS"
>> echo "  executable    = $MY_EXE"
>> echo "  MPI flags     = $OPENMPI_FLAGS"
>> echo "-- begin OPENMPI run -- on "
>> mpirun ${OPENMPI_FLAGS} python run.py
>> echo "-- end OPENMPI run -- on “
>> 
>> Pls help to advise how can I solve this problem.
>> 
>> Thanks in advance.
>> 
>> Wei Li
>> Ph.D student 
>> University of Delaware
>> 
>>                                           
> 

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