Adjust slice memory.
[lightning.git] / slicenumpy.go
index 601b35a9602d1e3800678f915890e138a1b761a8..4d3bd2745db43ba2c372c1385b339ece8ae131d3 100644 (file)
@@ -6,24 +6,29 @@ package lightning
 
 import (
        "bufio"
+       "bytes"
        "flag"
        "fmt"
        "io"
        "net/http"
        _ "net/http/pprof"
        "os"
+       "regexp"
        "runtime"
        "sort"
        "strings"
+       "sync/atomic"
 
        "git.arvados.org/arvados.git/sdk/go/arvados"
+       "github.com/arvados/lightning/hgvs"
        "github.com/kshedden/gonpy"
-       "github.com/sirupsen/logrus"
        log "github.com/sirupsen/logrus"
+       "golang.org/x/crypto/blake2b"
 )
 
 type sliceNumpy struct {
-       filter filter
+       filter  filter
+       threads int
 }
 
 func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, stdout, stderr io.Writer) int {
@@ -41,8 +46,10 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
        priority := flags.Int("priority", 500, "container request priority")
        inputDir := flags.String("input-dir", "./in", "input `directory`")
        outputDir := flags.String("output-dir", "./out", "output `directory`")
+       ref := flags.String("ref", "", "reference name (if blank, choose last one that appears in input)")
        regionsFilename := flags.String("regions", "", "only output columns/annotations that intersect regions in specified bed `file`")
        expandRegions := flags.Int("expand-regions", 0, "expand specified regions by `N` base pairs on each side`")
+       flags.IntVar(&cmd.threads, "threads", 16, "number of memory-hungry assembly threads")
        cmd.filter.Flags(flags)
        err = flags.Parse(args)
        if err == flag.ErrHelp {
@@ -63,10 +70,10 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                        Name:        "lightning slice-numpy",
                        Client:      arvados.NewClientFromEnv(),
                        ProjectUUID: *projectUUID,
-                       RAM:         150000000000,
-                       VCPUs:       32,
+                       RAM:         650000000000,
+                       VCPUs:       96,
                        Priority:    *priority,
-                       KeepCache:   1,
+                       KeepCache:   2,
                        APIAccess:   true,
                }
                err = runner.TranslatePaths(inputDir, regionsFilename)
@@ -77,6 +84,7 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                        "-pprof", ":6060",
                        "-input-dir", *inputDir,
                        "-output-dir", "/mnt/output",
+                       "-threads", fmt.Sprintf("%d", cmd.threads),
                        "-regions", *regionsFilename,
                        "-expand-regions", fmt.Sprintf("%d", *expandRegions),
                }
@@ -101,17 +109,38 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
        sort.Strings(infiles)
 
        var cgnames []string
-       refseqs := map[string]map[string][]tileLibRef{}
+       var refseq map[string][]tileLibRef
+       var reftiledata = make(map[tileLibRef][]byte, 11000000)
        in0, err := open(infiles[0])
        if err != nil {
                return 1
        }
+
+       matchGenome, err := regexp.Compile(cmd.filter.MatchGenome)
+       if err != nil {
+               err = fmt.Errorf("-match-genome: invalid regexp: %q", cmd.filter.MatchGenome)
+               return 1
+       }
+
+       taglen := -1
        DecodeLibrary(in0, strings.HasSuffix(infiles[0], ".gz"), func(ent *LibraryEntry) error {
+               if len(ent.TagSet) > 0 {
+                       taglen = len(ent.TagSet[0])
+               }
                for _, cseq := range ent.CompactSequences {
-                       refseqs[cseq.Name] = cseq.TileSequences
+                       if cseq.Name == *ref || *ref == "" {
+                               refseq = cseq.TileSequences
+                       }
                }
                for _, cg := range ent.CompactGenomes {
-                       cgnames = append(cgnames, cg.Name)
+                       if matchGenome.MatchString(cg.Name) {
+                               cgnames = append(cgnames, cg.Name)
+                       }
+               }
+               for _, tv := range ent.TileVariants {
+                       if tv.Ref {
+                               reftiledata[tileLibRef{tv.Tag, tv.Variant}] = tv.Sequence
+                       }
                }
                return nil
        })
@@ -119,6 +148,18 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                return 1
        }
        in0.Close()
+       if refseq == nil {
+               err = fmt.Errorf("%s: reference sequence not found", infiles[0])
+               return 1
+       }
+       if taglen < 0 {
+               err = fmt.Errorf("tagset not found")
+               return 1
+       }
+       if len(cgnames) == 0 {
+               err = fmt.Errorf("no genomes found matching regexp %q", cmd.filter.MatchGenome)
+               return 1
+       }
        sort.Strings(cgnames)
 
        {
@@ -144,102 +185,211 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                }
        }
 
-       log.Info("building list of reference tiles to load") // TODO: more efficient if we had saved all ref tiles in slice0
-       reftiledata := map[tileLibRef]*[]byte{}
-       for _, ref := range refseqs {
-               for _, cseq := range ref {
-                       for _, libref := range cseq {
-                               reftiledata[libref] = new([]byte)
+       log.Info("indexing reference tiles")
+       type reftileinfo struct {
+               variant  tileVariantID
+               seqname  string // chr1
+               pos      int    // distance from start of chr1 to start of tile
+               tiledata []byte // acgtggcaa...
+       }
+       reftile := map[tagID]*reftileinfo{}
+       for seqname, cseq := range refseq {
+               for _, libref := range cseq {
+                       reftile[libref.Tag] = &reftileinfo{
+                               seqname:  seqname,
+                               variant:  libref.Variant,
+                               tiledata: reftiledata[libref],
                        }
                }
        }
-       log.Info("loading reference tiles from all slices")
-       throttle := throttle{Max: runtime.NumCPU()}
-       for _, infile := range infiles {
-               infile := infile
-               throttle.Go(func() error {
-                       defer log.Infof("%s: done", infile)
-                       f, err := open(infile)
-                       if err != nil {
-                               return err
-                       }
-                       defer f.Close()
-                       return DecodeLibrary(f, strings.HasSuffix(infile, ".gz"), func(ent *LibraryEntry) error {
-                               for _, tv := range ent.TileVariants {
-                                       libref := tileLibRef{tv.Tag, tv.Variant}
-                                       if dst, ok := reftiledata[libref]; ok {
-                                               *dst = tv.Sequence
-                                       }
+
+       throttleCPU := throttle{Max: runtime.GOMAXPROCS(0)}
+       log.Info("reconstructing reference sequences")
+       for seqname, cseq := range refseq {
+               seqname, cseq := seqname, cseq
+               throttleCPU.Go(func() error {
+                       defer log.Printf("... %s done", seqname)
+                       pos := 0
+                       for _, libref := range cseq {
+                               rt := reftile[libref.Tag]
+                               rt.pos = pos
+                               if len(rt.tiledata) == 0 {
+                                       return fmt.Errorf("missing tiledata for tag %d variant %d in %s in ref", libref.Tag, libref.Variant, seqname)
                                }
-                               return nil
-                       })
+                               pos += len(rt.tiledata) - taglen
+                       }
+                       return nil
                })
        }
-       throttle.Wait()
+       throttleCPU.Wait()
 
        log.Info("TODO: determining which tiles intersect given regions")
 
+       throttleMem := throttle{Max: cmd.threads} // TODO: estimate using mem and data size
+       throttleNumpyMem := throttle{Max: cmd.threads/2 + 1}
        log.Info("generating annotations and numpy matrix for each slice")
+       var done int64
        for infileIdx, infile := range infiles {
                infileIdx, infile := infileIdx, infile
-               throttle.Go(func() error {
-                       defer log.Infof("%s: done", infile)
-                       seq := map[tileLibRef][]byte{}
+               throttleMem.Go(func() error {
+                       seq := make(map[tagID][]TileVariant, 50000)
                        cgs := make(map[string]CompactGenome, len(cgnames))
                        f, err := open(infile)
                        if err != nil {
                                return err
                        }
                        defer f.Close()
+                       log.Infof("%04d: reading %s", infileIdx, infile)
                        err = DecodeLibrary(f, strings.HasSuffix(infile, ".gz"), func(ent *LibraryEntry) error {
                                for _, tv := range ent.TileVariants {
-                                       seq[tileLibRef{tv.Tag, tv.Variant}] = tv.Sequence
+                                       if tv.Ref {
+                                               continue
+                                       }
+                                       variants := seq[tv.Tag]
+                                       if len(variants) == 0 {
+                                               variants = make([]TileVariant, 100)
+                                       }
+                                       for len(variants) <= int(tv.Variant) {
+                                               variants = append(variants, TileVariant{})
+                                       }
+                                       variants[int(tv.Variant)] = tv
+                                       seq[tv.Tag] = variants
                                }
                                for _, cg := range ent.CompactGenomes {
-                                       cgs[cg.Name] = cg
+                                       if matchGenome.MatchString(cg.Name) {
+                                               cgs[cg.Name] = cg
+                                       }
                                }
                                return nil
                        })
                        if err != nil {
                                return err
                        }
+                       tagstart := cgs[cgnames[0]].StartTag
+                       tagend := cgs[cgnames[0]].EndTag
+
+                       // TODO: filters
 
-                       log.Infof("TODO: %s: filtering", infile)
-                       log.Infof("TODO: %s: tidying", infile)
-                       log.Infof("TODO: %s: lowqual to -1", infile)
+                       log.Infof("%04d: renumber/dedup variants for tags %d-%d", infileIdx, tagstart, tagend)
+                       variantRemap := make([][]tileVariantID, tagend-tagstart)
+                       throttleCPU := throttle{Max: runtime.GOMAXPROCS(0)}
+                       for tag, variants := range seq {
+                               tag, variants := tag, variants
+                               throttleCPU.Acquire()
+                               go func() {
+                                       defer throttleCPU.Release()
+                                       count := make(map[[blake2b.Size256]byte]int, len(variants))
+                                       for _, cg := range cgs {
+                                               idx := int(tag-tagstart) * 2
+                                               if idx < len(cg.Variants) {
+                                                       for allele := 0; allele < 2; allele++ {
+                                                               v := cg.Variants[idx+allele]
+                                                               if v > 0 && len(variants[v].Sequence) > 0 {
+                                                                       count[variants[v].Blake2b]++
+                                                               }
+                                                       }
+                                               }
+                                       }
+                                       // hash[i] will be the hash of
+                                       // the variant(s) that should
+                                       // be at rank i (0-based).
+                                       hash := make([][blake2b.Size256]byte, 0, len(count))
+                                       for b := range count {
+                                               hash = append(hash, b)
+                                       }
+                                       sort.Slice(hash, func(i, j int) bool {
+                                               bi, bj := &hash[i], &hash[j]
+                                               if ci, cj := count[*bi], count[*bj]; ci != cj {
+                                                       return ci > cj
+                                               } else {
+                                                       return bytes.Compare((*bi)[:], (*bj)[:]) < 0
+                                               }
+                                       })
+                                       // rank[b] will be the 1-based
+                                       // new variant number for
+                                       // variants whose hash is b.
+                                       rank := make(map[[blake2b.Size256]byte]tileVariantID, len(hash))
+                                       for i, h := range hash {
+                                               rank[h] = tileVariantID(i + 1)
+                                       }
+                                       // remap[v] will be the new
+                                       // variant number for original
+                                       // variant number v.
+                                       remap := make([]tileVariantID, len(variants))
+                                       for i, tv := range variants {
+                                               remap[i] = rank[tv.Blake2b]
+                                       }
+                                       variantRemap[tag-tagstart] = remap
+                               }()
+                       }
+                       throttleCPU.Wait()
 
                        annotationsFilename := fmt.Sprintf("%s/matrix.%04d.annotations.csv", *outputDir, infileIdx)
-                       log.Infof("%s: writing annotations to %s", infile, annotationsFilename)
-                       annow, err := os.Create(annotationsFilename)
+                       log.Infof("%04d: writing %s", infileIdx, annotationsFilename)
+                       annof, err := os.Create(annotationsFilename)
                        if err != nil {
                                return err
                        }
-                       // for libref, seq := range seq {
-                       //      // TODO: diff from ref.
-                       // }
-                       err = annow.Close()
+                       annow := bufio.NewWriterSize(annof, 1<<20)
+                       for tag, variants := range seq {
+                               rt, ok := reftile[tag]
+                               if !ok {
+                                       // Reference does not use any
+                                       // variant of this tile.
+                                       // TODO: log this? mention it
+                                       // in annotations?
+                                       continue
+                               }
+                               outcol := tag - tagID(tagstart)
+                               reftilestr := strings.ToUpper(string(rt.tiledata))
+                               remap := variantRemap[tag-tagstart]
+                               done := make([]bool, len(variants))
+                               for v, tv := range variants {
+                                       v := remap[v]
+                                       if done[v] {
+                                               continue
+                                       } else {
+                                               done[v] = true
+                                       }
+                                       if len(tv.Sequence) < taglen || !bytes.HasSuffix(rt.tiledata, tv.Sequence[len(tv.Sequence)-taglen:]) {
+                                               continue
+                                       }
+                                       if lendiff := len(rt.tiledata) - len(tv.Sequence); lendiff < -1000 || lendiff > 1000 {
+                                               continue
+                                       }
+                                       diffs, _ := hgvs.Diff(reftilestr, strings.ToUpper(string(tv.Sequence)), 0)
+                                       for _, diff := range diffs {
+                                               diff.Position += rt.pos
+                                               fmt.Fprintf(annow, "%d,%d,%d,%s:g.%s,%s,%d,%s,%s,%s\n", tag, outcol, v, rt.seqname, diff.String(), rt.seqname, diff.Position, diff.Ref, diff.New, diff.Left)
+                                       }
+                               }
+                       }
+                       err = annow.Flush()
+                       if err != nil {
+                               return err
+                       }
+                       err = annof.Close()
                        if err != nil {
                                return err
                        }
 
-                       log.Infof("%s: preparing numpy", infile)
-                       tagstart := cgs[cgnames[0]].StartTag
-                       tagend := cgs[cgnames[0]].EndTag
+                       throttleNumpyMem.Acquire()
+                       log.Infof("%04d: preparing numpy", infileIdx)
                        rows := len(cgnames)
                        cols := 2 * int(tagend-tagstart)
                        out := make([]int16, rows*cols)
                        for row, name := range cgnames {
                                out := out[row*cols:]
                                for col, v := range cgs[name].Variants {
-                                       if v == 0 {
-                                               // out[col] = 0
-                                       } else if _, ok := seq[tileLibRef{tagstart + tagID(col/2), v}]; ok {
-                                               out[col] = int16(v)
+                                       if variants, ok := seq[tagstart+tagID(col/2)]; ok && len(variants) > int(v) && len(variants[v].Sequence) > 0 {
+                                               out[col] = int16(variantRemap[col/2][v])
                                        } else {
                                                out[col] = -1
                                        }
                                }
                        }
+                       seq = nil
+                       throttleNumpyMem.Release()
 
                        fnm := fmt.Sprintf("%s/matrix.%04d.npy", *outputDir, infileIdx)
                        output, err := os.Create(fnm)
@@ -247,16 +397,16 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                                return err
                        }
                        defer output.Close()
-                       bufw := bufio.NewWriter(output)
+                       bufw := bufio.NewWriterSize(output, 1<<26)
                        npw, err := gonpy.NewWriter(nopCloser{bufw})
                        if err != nil {
                                return err
                        }
-                       log.WithFields(logrus.Fields{
+                       log.WithFields(log.Fields{
                                "filename": fnm,
                                "rows":     rows,
                                "cols":     cols,
-                       }).Info("writing numpy")
+                       }).Infof("%04d: writing numpy", infileIdx)
                        npw.Shape = []int{rows, cols}
                        npw.WriteInt16(out)
                        err = bufw.Flush()
@@ -267,26 +417,12 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                        if err != nil {
                                return err
                        }
+                       log.Infof("%s: done (%d/%d)", infile, int(atomic.AddInt64(&done, 1)), len(infiles))
                        return nil
                })
        }
-       if err = throttle.Wait(); err != nil {
+       if err = throttleMem.Wait(); err != nil {
                return 1
        }
        return 0
 }
-
-func (*sliceNumpy) writeLibRefs(fnm string, tilelib *tileLibrary, librefs []tileLibRef) error {
-       f, err := os.OpenFile(fnm, os.O_CREATE|os.O_WRONLY, 0666)
-       if err != nil {
-               return err
-       }
-       defer f.Close()
-       for i, libref := range librefs {
-               _, err = fmt.Fprintf(f, "%d,%d,%d\n", i, libref.Tag, libref.Variant)
-               if err != nil {
-                       return err
-               }
-       }
-       return f.Close()
-}