Task 38687540
| Name | test_724-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8511_0 |
| Workunit | 31628926 |
| Created | 28 Oct 2026, 8:22:36 UTC |
| Sent | 28 Oct 2026, 8:22:41 UTC |
| Report deadline | 2 Nov 2026, 8:22:41 UTC |
| Received | 28 Oct 2026, 14:56:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653122 |
| Run time | 23 min 50 sec |
| CPU time | 20 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 47,850.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.64 MB |
| Peak swap size | 10.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:24:26 (34824): wrapper (7.9.26016): starting
09:24:26 (34824): 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
09:24:27 (34824): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:24:27 (34824): 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:\ProgramData\BOINC\slots\10\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:\ProgramData\BOINC\slots\10\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.
15:34:34 (40568): wrapper (7.9.26016): starting
15:34:34 (40568): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\10\tmp" existiert bereits.
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
15:55:56 (40568): C:/Windows/system32/cmd.exe exited; CPU time 1197.390625
15:55:56 (40568): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25803119 bytes.
Dumping objects ->
{1545} normal block at 0x000001B8E13E4E80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1534} normal block at 0x000001B8E13E4A90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1523} normal block at 0x000001B8E13E4CC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1512} normal block at 0x000001B8E13E49B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1501} normal block at 0x000001B8E13E4940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1470} normal block at 0x000001B8E13D8EE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1457} normal block at 0x000001B8E13E6110, 8 bytes long.
Data: < : > 00 00 3A E1 B8 01 00 00
{308} normal block at 0x000001B8E13E5850, 8 bytes long.
Data: < f> > 80 66 3E E1 B8 01 00 00
{299} normal block at 0x000001B8E13D69A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001B8E13E57B0, 16 bytes long.
Data: <xU> > 78 55 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B8E13E5D00, 16 bytes long.
Data: <PU> > 50 55 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B8E13DD2F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001B8E13E6070, 16 bytes long.
Data: <(U> > 28 55 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B8E13E5E90, 16 bytes long.
Data: < U> > 00 55 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B8E13E5EE0, 16 bytes long.
Data: < T> > D8 54 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B8E13E59E0, 16 bytes long.
Data: < T> > B0 54 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B8E13E4A20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001B8E13E6160, 16 bytes long.
Data: < < > A8 F9 3C E1 B8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B8E13DDBF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001B8E13E6480, 16 bytes long.
Data: < < > 80 F9 3C E1 B8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B8E13E5C10, 16 bytes long.
Data: <X < > 58 F9 3C E1 B8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B8E13E6200, 16 bytes long.
Data: <0 < > 30 F9 3C E1 B8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B8E13E6520, 16 bytes long.
Data: < < > 08 F9 3C E1 B8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B8E13E6390, 16 bytes long.
Data: < < > E0 F8 3C E1 B8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B8E13E6430, 16 bytes long.
Data: < < > B8 F8 3C E1 B8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B8E13DDAD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001B8E13E5760, 16 bytes long.
Data: < < > 90 F8 3C E1 B8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B8E13CF890, 320 bytes long.
Data: <`W> = > 60 57 3E E1 B8 01 00 00 D0 DA 3D E1 B8 01 00 00
{278} normal block at 0x000001B8E13E5E40, 16 bytes long.
Data: < T> > 90 54 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B8E13E5CB0, 16 bytes long.
Data: <hT> > 68 54 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B8E13DD0B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001B8E13E64D0, 16 bytes long.
Data: <@T> > 40 54 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B8E13DD290, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001B8E13E63E0, 16 bytes long.
Data: < S> > 88 53 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B8E13E5710, 16 bytes long.
Data: <`S> > 60 53 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B8E13E5BC0, 16 bytes long.
Data: <8S> > 38 53 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B8E13E5AD0, 16 bytes long.
Data: < S> > 10 53 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B8E13E60C0, 16 bytes long.
Data: < R> > E8 52 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B8E13DF6B0, 16 bytes long.
Data: < R> > C0 52 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B8E13DF660, 16 bytes long.
Data: < H> > D0 48 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B8E13E48D0, 40 bytes long.
Data: <` = = > 60 F6 3D E1 B8 01 00 00 E0 8E 3D E1 B8 01 00 00
{264} normal block at 0x000001B8E13DF7A0, 16 bytes long.
Data: < R> > A0 52 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B8E13DEFD0, 16 bytes long.
Data: <xR> > 78 52 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B8E13DD950, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001B8E13DF750, 16 bytes long.
Data: <PR> > 50 52 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B8E13E5250, 992 bytes long.
Data: <P = P = > 50 F7 3D E1 B8 01 00 00 50 D9 3D E1 B8 01 00 00
{96} normal block at 0x000001B8E13DDB30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001B8E13DEE40, 16 bytes long.
Data: < N> > F0 4E 3E E1 B8 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001B8E13E4EF0, 40 bytes long.
Data: <@ = 0 = > 40 EE 3D E1 B8 01 00 00 30 DB 3D E1 B8 01 00 00
{73} normal block at 0x000001B8E13DF250, 16 bytes long.
Data: < 7w > 80 EA 37 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B8E13DF3E0, 16 bytes long.
Data: <@ 7w > 40 E9 37 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B8E13DEDF0, 16 bytes long.
Data: < W4w > F8 57 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B8E13DEF80, 16 bytes long.
Data: < W4w > D8 57 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B8E13DF200, 16 bytes long.
Data: <P 4w > 50 04 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B8E13DF430, 16 bytes long.
Data: <0 4w > 30 04 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B8E13DEDA0, 16 bytes long.
Data: < 4w > E0 02 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B8E13DEC10, 16 bytes long.
Data: < 4w > 10 04 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B8E13DE8F0, 16 bytes long.
Data: <p 4w > 70 04 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B8E13DF160, 16 bytes long.
Data: < 2w > 18 C0 32 77 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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