Use non-preemptible instances.
[lightning.git] / slicenumpy.go
index c48a5d54a9ce508d7137f24a078168363a2e40dc..fe1a77497ee4e3325fa294fd7d0cf62d23605e74 100644 (file)
@@ -13,15 +13,16 @@ import (
        "net/http"
        _ "net/http/pprof"
        "os"
+       "regexp"
        "runtime"
        "sort"
+       "strconv"
        "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"
 )
@@ -49,6 +50,7 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
        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`")
+       mergeOutput := flags.Bool("merge-output", false, "merge output into one matrix.npy and one matrix.annotations.csv")
        flags.IntVar(&cmd.threads, "threads", 16, "number of memory-hungry assembly threads")
        cmd.filter.Flags(flags)
        err = flags.Parse(args)
@@ -70,8 +72,8 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                        Name:        "lightning slice-numpy",
                        Client:      arvados.NewClientFromEnv(),
                        ProjectUUID: *projectUUID,
-                       RAM:         240000000000,
-                       VCPUs:       64,
+                       RAM:         650000000000,
+                       VCPUs:       96,
                        Priority:    *priority,
                        KeepCache:   2,
                        APIAccess:   true,
@@ -81,12 +83,13 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                        return 1
                }
                runner.Args = []string{"slice-numpy", "-local=true",
-                       "-pprof", ":6060",
-                       "-input-dir", *inputDir,
-                       "-output-dir", "/mnt/output",
-                       "-threads", fmt.Sprintf("%d", cmd.threads),
-                       "-regions", *regionsFilename,
-                       "-expand-regions", fmt.Sprintf("%d", *expandRegions),
+                       "-pprof=:6060",
+                       "-input-dir=" + *inputDir,
+                       "-output-dir=/mnt/output",
+                       "-threads=" + fmt.Sprintf("%d", cmd.threads),
+                       "-regions=" + *regionsFilename,
+                       "-expand-regions=" + fmt.Sprintf("%d", *expandRegions),
+                       "-merge-output=" + fmt.Sprintf("%v", *mergeOutput),
                }
                runner.Args = append(runner.Args, cmd.filter.Args()...)
                var output string
@@ -116,6 +119,12 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                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 {
@@ -127,7 +136,9 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                        }
                }
                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 {
@@ -148,6 +159,10 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                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)
 
        {
@@ -211,7 +226,24 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
        }
        throttleCPU.Wait()
 
-       log.Info("TODO: determining which tiles intersect given regions")
+       var mask *mask
+       if *regionsFilename != "" {
+               mask, err = makeMask(*regionsFilename, *expandRegions)
+               if err != nil {
+                       return 1
+               }
+               // Delete reftile entries for masked-out regions.
+               for tag, rt := range reftile {
+                       if !mask.Check(strings.TrimPrefix(rt.seqname, "chr"), rt.pos, rt.pos+len(rt.tiledata)) {
+                               delete(reftile, tag)
+                       }
+               }
+       }
+
+       var toMerge [][]int16
+       if *mergeOutput {
+               toMerge = make([][]int16, len(infiles))
+       }
 
        throttleMem := throttle{Max: cmd.threads} // TODO: estimate using mem and data size
        throttleNumpyMem := throttle{Max: cmd.threads/2 + 1}
@@ -233,6 +265,12 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                                        if tv.Ref {
                                                continue
                                        }
+                                       if mask != nil && reftile[tv.Tag] == nil {
+                                               // Don't waste
+                                               // time/memory on
+                                               // masked-out tiles.
+                                               continue
+                                       }
                                        variants := seq[tv.Tag]
                                        if len(variants) == 0 {
                                                variants = make([]TileVariant, 100)
@@ -244,7 +282,9 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                                        seq[tv.Tag] = variants
                                }
                                for _, cg := range ent.CompactGenomes {
-                                       cgs[cg.Name] = cg
+                                       if matchGenome.MatchString(cg.Name) {
+                                               cgs[cg.Name] = cg
+                                       }
                                }
                                return nil
                        })
@@ -266,10 +306,14 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                                        defer throttleCPU.Release()
                                        count := make(map[[blake2b.Size256]byte]int, len(variants))
                                        for _, cg := range cgs {
-                                               idx := (tag - tagstart) * 2
-                                               if int(idx) < len(cg.Variants) {
-                                                       count[variants[cg.Variants[idx]].Blake2b]++
-                                                       count[variants[cg.Variants[idx+1]].Blake2b]++
+                                               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
@@ -313,19 +357,35 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                                return err
                        }
                        annow := bufio.NewWriterSize(annof, 1<<20)
-                       for tag, variants := range seq {
+                       outcol := 0
+                       for tag := tagstart; tag < tagend; tag++ {
                                rt, ok := reftile[tag]
                                if !ok {
-                                       // Reference does not use any
-                                       // variant of this tile.
-                                       // TODO: log this? mention it
-                                       // in annotations?
+                                       if mask == nil {
+                                               outcol++
+                                       }
+                                       // Excluded by specified
+                                       // regions, or reference does
+                                       // not use any variant of this
+                                       // tile. (TODO: log this?
+                                       // mention it in annotations?)
+                                       continue
+                               }
+                               variants, ok := seq[tag]
+                               if !ok {
+                                       outcol++
                                        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
                                        }
@@ -335,9 +395,10 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                                        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\n", tag, outcol, remap[v], rt.seqname, diff.String())
+                                               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)
                                        }
                                }
+                               outcol++
                        }
                        err = annow.Flush()
                        if err != nil {
@@ -348,49 +409,39 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
                                return err
                        }
 
-                       throttleNumpyMem.Acquire()
                        log.Infof("%04d: preparing numpy", infileIdx)
+                       throttleNumpyMem.Acquire()
                        rows := len(cgnames)
-                       cols := 2 * int(tagend-tagstart)
+                       cols := 2 * outcol
                        out := make([]int16, rows*cols)
                        for row, name := range cgnames {
                                out := out[row*cols:]
+                               outcol := 0
                                for col, v := range cgs[name].Variants {
-                                       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])
+                                       tag := tagstart + tagID(col/2)
+                                       if mask != nil && reftile[tag] == nil {
+                                               continue
+                                       }
+                                       if variants, ok := seq[tag]; ok && len(variants) > int(v) && len(variants[v].Sequence) > 0 {
+                                               out[outcol] = int16(variantRemap[tag-tagstart][v])
                                        } else {
-                                               out[col] = -1
+                                               out[outcol] = -1
                                        }
+                                       outcol++
                                }
                        }
                        seq = nil
                        throttleNumpyMem.Release()
 
-                       fnm := fmt.Sprintf("%s/matrix.%04d.npy", *outputDir, infileIdx)
-                       output, err := os.Create(fnm)
-                       if err != nil {
-                               return err
-                       }
-                       defer output.Close()
-                       bufw := bufio.NewWriterSize(output, 1<<26)
-                       npw, err := gonpy.NewWriter(nopCloser{bufw})
-                       if err != nil {
-                               return err
-                       }
-                       log.WithFields(logrus.Fields{
-                               "filename": fnm,
-                               "rows":     rows,
-                               "cols":     cols,
-                       }).Infof("%04d: writing numpy", infileIdx)
-                       npw.Shape = []int{rows, cols}
-                       npw.WriteInt16(out)
-                       err = bufw.Flush()
-                       if err != nil {
-                               return err
-                       }
-                       err = output.Close()
-                       if err != nil {
-                               return err
+                       if *mergeOutput {
+                               log.Infof("%04d: matrix fragment %d rows x %d cols", infileIdx, rows, cols)
+                               toMerge[infileIdx] = out
+                       } else {
+                               fnm := fmt.Sprintf("%s/matrix.%04d.npy", *outputDir, infileIdx)
+                               err = writeNumpyInt16(fnm, out, rows, cols)
+                               if err != nil {
+                                       return err
+                               }
                        }
                        log.Infof("%s: done (%d/%d)", infile, int(atomic.AddInt64(&done, 1)), len(infiles))
                        return nil
@@ -399,5 +450,88 @@ func (cmd *sliceNumpy) RunCommand(prog string, args []string, stdin io.Reader, s
        if err = throttleMem.Wait(); err != nil {
                return 1
        }
+       if *mergeOutput {
+               log.Info("merging output matrix and annotations")
+
+               annoFilename := fmt.Sprintf("%s/matrix.annotations.csv", *outputDir)
+               annof, err := os.Create(annoFilename)
+               if err != nil {
+                       return 1
+               }
+               annow := bufio.NewWriterSize(annof, 1<<20)
+
+               rows := len(cgnames)
+               cols := 0
+               for _, chunk := range toMerge {
+                       cols += len(chunk) / rows
+               }
+               out := make([]int16, rows*cols)
+               startcol := 0
+               for outIdx, chunk := range toMerge {
+                       chunkcols := len(chunk) / rows
+                       for row := 0; row < rows; row++ {
+                               copy(out[row*cols+startcol:], chunk[row*chunkcols:(row+1)*chunkcols])
+                       }
+                       toMerge[outIdx] = nil
+
+                       annotationsFilename := fmt.Sprintf("%s/matrix.%04d.annotations.csv", *outputDir, outIdx)
+                       log.Infof("reading %s", annotationsFilename)
+                       buf, err := os.ReadFile(annotationsFilename)
+                       if err != nil {
+                               return 1
+                       }
+                       err = os.Remove(annotationsFilename)
+                       if err != nil {
+                               return 1
+                       }
+                       for _, line := range bytes.Split(buf, []byte{'\n'}) {
+                               if len(line) == 0 {
+                                       continue
+                               }
+                               fields := bytes.SplitN(line, []byte{','}, 3)
+                               incol, _ := strconv.Atoi(string(fields[1]))
+                               fmt.Fprintf(annow, "%s,%d,%s\n", fields[0], incol+startcol/2, fields[2])
+                       }
+
+                       startcol += chunkcols
+               }
+               err = annow.Flush()
+               if err != nil {
+                       return 1
+               }
+               err = annof.Close()
+               if err != nil {
+                       return 1
+               }
+               err = writeNumpyInt16(fmt.Sprintf("%s/matrix.npy", *outputDir), out, rows, cols)
+               if err != nil {
+                       return 1
+               }
+       }
        return 0
 }
+
+func writeNumpyInt16(fnm string, out []int16, rows, cols int) error {
+       output, err := os.Create(fnm)
+       if err != nil {
+               return err
+       }
+       defer output.Close()
+       bufw := bufio.NewWriterSize(output, 1<<26)
+       npw, err := gonpy.NewWriter(nopCloser{bufw})
+       if err != nil {
+               return err
+       }
+       log.WithFields(log.Fields{
+               "filename": fnm,
+               "rows":     rows,
+               "cols":     cols,
+       }).Infof("writing numpy: %s", fnm)
+       npw.Shape = []int{rows, cols}
+       npw.WriteInt16(out)
+       err = bufw.Flush()
+       if err != nil {
+               return err
+       }
+       return output.Close()
+}