Unit tests on a non-Intel CPU

Hello Rosetta forum!

I've been trying to run Rosetta (2015wk39) on an IBM Power8 machine. It has 64-bit PowerPC processors, which, according to our CS department, have been set up to work with little-endian byte ordering. Rosetta compiles fine* but I've been getting failures when running unit-tests.

I've attached the full log, and the epilogue is attached inline at the end of this message. Of all failed tests, I can only find details to the test_rotamer_trials test, which have the following error:

UTracer(core/pack/RotamerTrials.u) line 126 not equal:
0.801153!=-0.801153 [abs_tolerance=0.01, rel_tolerance=1e-200]
old: residue = 54 sin (chi) = -0.801152635733626 cos(chi) = -0.598460069058131
new: residue = 54 sin (chi) = 0.801152635733762 cos(chi) = -0.598460069057949
In RotamerTrials::test_rotamer_trials:
./test/UTracer.hh:100: Error: Test failed: "0.801153!=-0.801153 [abs_tolerance=0.01, rel_tolerance=1e-200]"

CXXTEST_ERROR: test_rotamer_trials Failed!
Failed 1 of 733 tests

It seems that some chi angle got reversed as opposed to what was expected. The same tests with the same code base pass on other machines with Intel processors with x86_64 architecture.

I was wondering if this might mean that something with the way I compiled Rosetta on the Power8 machine. 

* to get Rosetta to compile I had to make sure the compiler uses a signed char where 'char' is specified, otherwise I get errors, by adding this to the site.settings:

        "appends" : {
            "flags" : {
                "compile" : [
                    "fsigned-char",
                ]
            }
        },

And also, since the architecture for the machine is listed as ppc64le, I modified the tools/build/setup_platforms.py file to read:

    processor_translation = {
        # ...
        "ppc64le" : "ppc64",
        # ...
    }

Thanks for whatever help you may offer!

Yuval

The epilogue of the unit tests log. The attached file is gzipped, but I had to rename it to '.log' because of filename extension restriction of the website.

-------- Unit test summary --------
Total number of tests: 1846
  number tests passed: 1795
  number tests failed: 51
  failed tests:
    core.test: RotamerTrials:test_rotamer_trials
    protocols.test: ConnectionTests:test_api
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_AA_SET_command
    protocols.test: DynamicAggregateFunctionTests:test_daf_vector_NPD_PROPERTY_command
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_missing_correspondence_file
    protocols.test: ConnectionTests:test_ideal_abego_no_extension
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_varname_duplicated
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_EXPRESSION_command_nocap_IN
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_VECTOR_command_missing_listfile2
    protocols.test: DynamicAggregateFunctionTests:test_daf_POSE_ENERGY_into_VECTOR_VARIABLE_command
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_VARIABLE_command_func_vecvarname
    protocols.test: ConnectionTests:test_check_abego
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_VECTOR_command_missing_listfile
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_VECTOR_command_missing_varname2
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_AA_SET_command_missing_right_curly_brace
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_VECTOR_command
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_SET_CONDITION_command_from_AA_SET
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_EXPRESSION_command_two_local_variables
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_VECTOR_command_function_varname
    protocols.test: CalculatorFilterTests:test_parsing
    protocols.test: BridgeChainsTests:test_twohelix
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_EXPRESSION_command_duplicated_local_varname
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_VARIABLE_command_bad_vecvarname
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_varname_function_name
    protocols.test: BridgeChainsTests:test_conn_chains
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_missing_pdb_file
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_SET_CONDITION_command_from_aa_list_missing_lcurly
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_VECTOR_command_missing_varname
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_VARIABLE_command
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_SET_CONDITION_command_from_aa_list
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_EXPRESSION_command_two_local_variables_misplaced_comma
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_SET_CONDITION_command_from_AA_SET_bad_name
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_VECTOR_command_duplicate_varname
    protocols.test: DynamicAggregateFunctionTests:test_daf_POSE_ENERGY_command
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_varname_illegal_name
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_missing_pdb_file2
    protocols.test: DynamicAggregateFunctionTests:test_daf_scalar_NPD_PROPERTY_command
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_missing_secondary_resfile2
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_EXPRESSION_command
    protocols.test: DynamicAggregateFunctionTests:test_initialize_empty_DAF
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_SUB_EXPRESSION_command
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_AA_SET_command_missing_equals_sign
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_read_simple_file
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_SET_CONDITION_command_from_aa_list_missing_comma
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_VECTOR_command_illegal_varname
    protocols.test: ConnectionTests:test_rebuild_connection
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_missing_correspondence_file2
    protocols.test: DynamicAggregateFunctionTests:test_EntityFunc_AA_SET_command_missing_commas
    protocols.test: DynamicAggregateFunctionTests:test_daf_VECTOR_VARIABLE_command_bad_varname
    protocols.test: DynamicAggregateFunctionTests:test_daf_STATE_command_missing_secondary_resfile
Success rate: 97%
---------- End of Unit test summary
Done!