Task 38671193
| Name | test_181-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND2035_0 |
| Workunit | 31613405 |
| Created | 25 Oct 2026, 19:47:10 UTC |
| Sent | 25 Oct 2026, 19:47:15 UTC |
| Report deadline | 30 Oct 2026, 19:47:15 UTC |
| Received | 25 Oct 2026, 20:48:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610797 |
| Run time | 14 min 54 sec |
| CPU time | 13 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 760.02 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
21:34:15 (10424): wrapper (7.9.26016): starting
21:34:15 (10424): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
21:34:16 (10424): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:34:16 (10424): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\DataBOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\DataBOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
21:48:33 (10424): C:/Windows/system32/cmd.exe exited; CPU time 790.875000
21:48:33 (10424): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 13080163 bytes.
Dumping objects ->
{3835610} normal block at 0x000001FAAAC95660, 48 bytes long.
Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{3835599} normal block at 0x000001FAACAE5940, 32 bytes long.
Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{3835588} normal block at 0x000001FAACAE6CC0, 32 bytes long.
Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43
{3835577} normal block at 0x000001FAACAE6540, 32 bytes long.
Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{3835566} normal block at 0x000001FAACAE6600, 32 bytes long.
Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F
{3835535} normal block at 0x000001FAAAC95740, 48 bytes long.
Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{3835524} normal block at 0x000001FAACAAF520, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835521} normal block at 0x000001FAAAC8DE40, 8 bytes long.
Data: < «ú > 00 00 18 AB FA 01 00 00
{3834715} normal block at 0x000001FAACAAF310, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001FAAAC8DFD0, 8 bytes long.
Data: < 嚬ú > 00 E5 9A AC FA 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FAAAC916D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FAAAC86400, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001FAAAC96470, 16 bytes long.
Data: <8oɪú > 38 6F C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FAAAC96A60, 16 bytes long.
Data: < oɪú > 10 6F C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FAAAC90260, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001FAAAC964C0, 16 bytes long.
Data: <ènɪú > E8 6E C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FAAAC96560, 16 bytes long.
Data: <Ànɪú > C0 6E C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FAAAC966F0, 16 bytes long.
Data: < nɪú > 98 6E C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FAAAC96AB0, 16 bytes long.
Data: <pnɪú > 70 6E C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FAAAC95270, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001FAAAC965B0, 16 bytes long.
Data: <ȔȪú > C8 94 C8 AA FA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FAAAC8F5A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001FAAAC95ED0, 16 bytes long.
Data: < ”Ȫú > A0 94 C8 AA FA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FAAAC96290, 16 bytes long.
Data: <x”Ȫú > 78 94 C8 AA FA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FAAAC962E0, 16 bytes long.
Data: <P”Ȫú > 50 94 C8 AA FA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FAAAC96970, 16 bytes long.
Data: <(”Ȫú > 28 94 C8 AA FA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FAAAC96510, 16 bytes long.
Data: < ”Ȫú > 00 94 C8 AA FA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FAAAC96A10, 16 bytes long.
Data: <ؓȪú > D8 93 C8 AA FA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FAAAC8FF00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001FAAAC95F20, 16 bytes long.
Data: <°“Ȫú > B0 93 C8 AA FA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FAAAC893B0, 320 bytes long.
Data: < _ɪú ÿȪú > 20 5F C9 AA FA 01 00 00 00 FF C8 AA FA 01 00 00
{276} normal block at 0x000001FAAAC95D40, 16 bytes long.
Data: <Pnɪú > 50 6E C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FAAAC95E80, 16 bytes long.
Data: <(nɪú > 28 6E C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FAAAC8F780, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001FAAAC96010, 16 bytes long.
Data: < nɪú > 00 6E C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FAAAC90440, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001FAAAC96B50, 16 bytes long.
Data: <Hmɪú > 48 6D C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FAAAC95FC0, 16 bytes long.
Data: < mɪú > 20 6D C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FAAAC95E30, 16 bytes long.
Data: <ølɪú > F8 6C C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FAAAC961F0, 16 bytes long.
Data: <Ðlɪú > D0 6C C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FAAAC963D0, 16 bytes long.
Data: <¨lɪú > A8 6C C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FAAAC96420, 16 bytes long.
Data: < lɪú > 80 6C C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FAAAC966A0, 16 bytes long.
Data: < Uɪú > 10 55 C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FAAAC95510, 40 bytes long.
Data: < fɪú @Wɪú > A0 66 C9 AA FA 01 00 00 40 57 C9 AA FA 01 00 00
{262} normal block at 0x000001FAAAC96790, 16 bytes long.
Data: <`lɪú > 60 6C C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FAAAC96600, 16 bytes long.
Data: <8lɪú > 38 6C C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FAAAC8F540, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001FAAAC96880, 16 bytes long.
Data: < lɪú > 10 6C C9 AA FA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FAAAC96C10, 992 bytes long.
Data: < hɪú @õȪú > 80 68 C9 AA FA 01 00 00 40 F5 C8 AA FA 01 00 00
{94} normal block at 0x000001FAAAC90200, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001FAAAC8DB20, 16 bytes long.
Data: < ÷Ǫú > 10 F7 C7 AA FA 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001FAAAC7F710, 40 bytes long.
Data: < ÛȪú ɪú > 20 DB C8 AA FA 01 00 00 00 02 C9 AA FA 01 00 00
{71} normal block at 0x000001FAAAC8E340, 16 bytes long.
Data: < ê>7ö > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FAAAC8D6C0, 16 bytes long.
Data: <@é>7ö > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FAAAC8DF80, 16 bytes long.
Data: <øW;7ö > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FAAAC8E200, 16 bytes long.
Data: <ØW;7ö > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FAAAC8D9E0, 16 bytes long.
Data: <P ;7ö > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FAAAC8DF30, 16 bytes long.
Data: <0 ;7ö > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FAAAC8DC60, 16 bytes long.
Data: <à ;7ö > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FAAAC8E2A0, 16 bytes long.
Data: < ;7ö > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FAAAC8E0C0, 16 bytes long.
Data: <p ;7ö > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FAAAC8E520, 16 bytes long.
Data: < À97ö > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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