lgatto / pRoloc

A unifying bioinformatics framework for organelle proteomics
http://lgatto.github.io/pRoloc/
15 stars 13 forks source link

failing unit test - mcmc chains not equal #141

Closed lgatto closed 2 years ago

lgatto commented 2 years ago

The MCMC chains in TAGM MCMC consistency test aren't equal anymore. This might be related to recent changes in [BiocParallel] (even though we use SerialParams).

@ococrook - could you have a look. This is actually quite urgent and critical, as package code will be frozen next week for the new release, and pRoloc is failing.

ococrook commented 2 years ago

@lgatto will have a look at this. I have no problem locally so I'll reinstall R and try again.

lgatto commented 2 years ago

Thank you for looking into it.

Here's the Bioconductor check report and my local session info

R version 4.1.0 (2021-05-18)
Platform: x86_64-pc-linux-gnu (64-bit)
Running under: Manjaro Linux

Matrix products: default
BLAS:   /usr/lib/libblas.so.3.10.0
LAPACK: /usr/lib/liblapack.so.3.10.0

locale:
 [1] LC_CTYPE=en_US.UTF-8       LC_NUMERIC=C              
 [3] LC_TIME=en_US.UTF-8        LC_COLLATE=en_US.UTF-8    
 [5] LC_MONETARY=en_US.UTF-8    LC_MESSAGES=en_US.UTF-8   
 [7] LC_PAPER=en_US.UTF-8       LC_NAME=C                 
 [9] LC_ADDRESS=C               LC_TELEPHONE=C            
[11] LC_MEASUREMENT=en_US.UTF-8 LC_IDENTIFICATION=C       

attached base packages:
[1] stats4    stats     graphics  grDevices utils     datasets  methods  
[8] base     

other attached packages:
 [1] pRoloc_1.33.0        BiocParallel_1.27.16 MLInterfaces_1.73.0 
 [4] cluster_2.1.2        annotate_1.71.0      XML_3.99-0.8        
 [7] AnnotationDbi_1.55.1 IRanges_2.27.2       MSnbase_2.19.2      
[10] ProtGenerics_1.25.2  S4Vectors_0.31.5     mzR_2.27.1          
[13] Rcpp_1.0.7           Biobase_2.53.0       BiocGenerics_0.39.2 

loaded via a namespace (and not attached):
  [1] colorspace_2.0-2       ellipsis_0.3.2         class_7.3-19          
  [4] mclust_5.4.7           XVector_0.33.0         clue_0.3-59           
  [7] rstudioapi_0.13        proxy_0.4-26           listenv_0.8.0         
 [10] hexbin_1.28.2          affyio_1.63.2          bit64_4.0.5           
 [13] lubridate_1.7.10       prodlim_2019.11.13     fansi_0.5.0           
 [16] mvtnorm_1.1-2          xml2_1.3.2             codetools_0.2-18      
 [19] splines_4.1.0          ncdf4_1.17             doParallel_1.0.16     
 [22] cachem_1.0.6           impute_1.67.0          knitr_1.36            
 [25] LaplacesDemon_16.1.6   pROC_1.18.0            caret_6.0-89          
 [28] kernlab_0.9-29         vsn_3.61.2             dbplyr_2.1.1          
 [31] png_0.1-7              BiocManager_1.30.16    compiler_4.1.0        
 [34] httr_1.4.2             sampling_2.9           assertthat_0.2.1      
 [37] Matrix_1.3-4           fastmap_1.1.0          limma_3.49.4          
 [40] prettyunits_1.1.1      tools_4.1.0            coda_0.19-4           
 [43] gtable_0.3.0           glue_1.4.2             GenomeInfoDbData_1.2.7
 [46] affy_1.71.0            reshape2_1.4.4         dplyr_1.0.7           
 [49] rappdirs_0.3.3         MALDIquant_1.20        vctrs_0.3.8           
 [52] Biostrings_2.61.2      preprocessCore_1.55.2  nlme_3.1-153          
 [55] iterators_1.0.13       timeDate_3043.102      gower_0.2.2           
 [58] xfun_0.26              stringr_1.4.0          globals_0.14.0        
 [61] lpSolve_5.6.15         lifecycle_1.0.1        gtools_3.9.2          
 [64] dendextend_1.15.1      future_1.22.1          zlibbioc_1.39.0       
 [67] MASS_7.3-54            scales_1.1.1           ipred_0.9-12          
 [70] pcaMethods_1.85.0      hms_1.1.1              parallel_4.1.0        
 [73] RColorBrewer_1.1-2     curl_4.3.2             memoise_2.0.0         
 [76] gridExtra_2.3          ggplot2_3.3.5          rpart_4.1-15          
 [79] biomaRt_2.49.4         segmented_1.3-4        stringi_1.7.5         
 [82] RSQLite_2.2.8          randomForest_4.6-14    foreach_1.5.1         
 [85] e1071_1.7-9            filelock_1.0.2         lava_1.6.10           
 [88] GenomeInfoDb_1.29.8    rlang_0.4.11           pkgconfig_2.0.3       
 [91] bitops_1.0-7           mzID_1.31.0            lattice_0.20-45       
 [94] purrr_0.3.4            recipes_0.1.17         bit_4.0.4             
 [97] tidyselect_1.1.1       parallelly_1.28.1      plyr_1.8.6            
[100] magrittr_2.0.1        
 [ reached getOption("max.print") -- omitted 27 entries ]
ococrook commented 2 years ago

hmm no problem on windows at the moment, with the following sessioninfo. @lmsimp anything on your end?

R version 4.1.1 (2021-08-10)
Platform: x86_64-w64-mingw32/x64 (64-bit)
Running under: Windows 10 x64 (build 19042)

Matrix products: default

locale:
[1] LC_COLLATE=English_United Kingdom.1252  LC_CTYPE=English_United Kingdom.1252    LC_MONETARY=English_United Kingdom.1252
[4] LC_NUMERIC=C                            LC_TIME=English_United Kingdom.1252    

attached base packages:
[1] stats4    parallel  stats     graphics  grDevices utils     datasets  methods   base     

other attached packages:
 [1] BiocCheck_1.28.0     pRoloc_1.33.0        BiocParallel_1.26.2  MLInterfaces_1.72.0  cluster_2.1.2        annotate_1.70.0     
 [7] XML_3.99-0.8         AnnotationDbi_1.54.1 IRanges_2.26.0       testthat_3.1.0       pRolocdata_1.30.0    MSnbase_2.18.0      
[13] ProtGenerics_1.24.0  S4Vectors_0.30.2     mzR_2.26.1           Rcpp_1.0.7           Biobase_2.52.0       BiocGenerics_0.38.0 

loaded via a namespace (and not attached):
  [1] BiocFileCache_2.0.0    plyr_1.8.6             splines_4.1.1          listenv_0.8.0          usethis_2.0.1         
  [6] GenomeInfoDb_1.28.4    ggplot2_3.3.5          digest_0.6.28          foreach_1.5.1          viridis_0.6.1         
 [11] fansi_0.5.0            magrittr_2.0.1         memoise_2.0.0          doParallel_1.0.16      mixtools_1.2.0        
 [16] limma_3.48.3           remotes_2.4.1          globals_0.14.0         recipes_0.1.17         Biostrings_2.60.2     
 [21] gower_0.2.2            lpSolve_5.6.15         prettyunits_1.1.1      colorspace_2.0-2       blob_1.2.2            
 [26] rappdirs_0.3.3         xfun_0.26              dplyr_1.0.7            callr_3.7.0            crayon_1.4.1          
 [31] RCurl_1.98-1.5         hexbin_1.28.2          graph_1.70.0           impute_1.66.0          survival_3.2-11       
 [36] iterators_1.0.13       glue_1.4.2             gtable_0.3.0           ipred_0.9-12           zlibbioc_1.38.0       
 [41] XVector_0.32.0         pkgbuild_1.2.0         kernlab_0.9-29         future.apply_1.8.1     scales_1.1.1          
 [46] vsn_3.60.0             mvtnorm_1.1-2          DBI_1.1.1              viridisLite_0.4.0      xtable_1.8-4          
 [51] progress_1.2.2         clue_0.3-59            bit_4.0.4              proxy_0.4-26           mclust_5.4.7          
 [56] preprocessCore_1.54.0  MsCoreUtils_1.4.0      lava_1.6.10            prodlim_2019.11.13     getopt_1.20.3         
 [61] sampling_2.9           httr_1.4.2             FNN_1.1.3              RColorBrewer_1.1-2     ellipsis_0.3.2        
 [66] pkgconfig_2.0.3        nnet_7.3-16            dbplyr_2.1.1           utf8_1.2.2             caret_6.0-89          
 [71] reshape2_1.4.4         tidyselect_1.1.1       rlang_0.4.11           biocViews_1.60.0       munsell_0.5.0         
 [76] tools_4.1.1            LaplacesDemon_16.1.6   cachem_1.0.6           cli_3.0.1              generics_0.1.0        
 [81] RSQLite_2.2.8          devtools_2.4.2         stringr_1.4.0          fastmap_1.1.0          mzID_1.30.0           
 [86] ModelMetrics_1.2.2.2   processx_3.5.2         knitr_1.36             bit64_4.0.5            fs_1.5.0              
 [91] randomForest_4.6-14    purrr_0.3.4            KEGGREST_1.32.0        dendextend_1.15.1      ncdf4_1.17            
 [96] RBGL_1.68.0            future_1.22.1          nlme_3.1-152           xml2_1.3.2             biomaRt_2.48.3        
[101] compiler_4.1.1         rstudioapi_0.13        filelock_1.0.2         curl_4.3.2             png_0.1-7             
[106] e1071_1.7-9            affyio_1.62.0          tibble_3.1.5           stringi_1.7.5          ps_1.6.0              
[111] desc_1.4.0             lattice_0.20-44        Matrix_1.3-4           vctrs_0.3.8            stringdist_0.9.8      
[116] pillar_1.6.3           lifecycle_1.0.1        RUnit_0.4.32           optparse_1.6.6         BiocManager_1.30.16   
[121] MALDIquant_1.20        data.table_1.14.2      bitops_1.0-7           R6_2.5.1               pcaMethods_1.84.0     
[126] affy_1.70.0            gridExtra_2.3          parallelly_1.28.1      sessioninfo_1.1.1      codetools_0.2-18      
[131] gtools_3.9.2           MASS_7.3-54            assertthat_0.2.1       pkgload_1.2.2          rprojroot_2.0.2       
[136] withr_2.4.2            GenomeInfoDbData_1.2.6 hms_1.1.1              grid_4.1.1             rpart_4.1-15          
[141] timeDate_3043.102      coda_0.19-4            class_7.3-19           segmented_1.3-4        pROC_1.18.0           
[146] lubridate_1.7.10     
lgatto commented 2 years ago

Could you try to install the devel version of BiocParallel.

ococrook commented 2 years ago

Done. Please see pull request

lgatto commented 2 years ago

Great, thank you!