Task 38647796
| Name | test_678-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND0292_0 |
| Workunit | 31592523 |
| Created | 23 Oct 2026, 20:21:10 UTC |
| Sent | 23 Oct 2026, 20:53:05 UTC |
| Report deadline | 28 Oct 2026, 20:53:05 UTC |
| Received | 23 Oct 2026, 23:42:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654792 |
| Run time | 13 min |
| CPU time | 13 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 48,740.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.77 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:51:53 (22980): wrapper (7.9.26016): starting
23:51:53 (22980): 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
23:51:54 (22980): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:51:54 (22980): 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 'F:\Festplattenpogramme\Boinc\Boincy\slots\16\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 'F:\Festplattenpogramme\Boinc\Boincy\slots\16\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835487} normal block at 0x00000173B9C6F5C0, 8 bytes long.
Data: < s > 00 00 13 BA 73 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x00000173BB82E3B0, 1080 bytes long.
Data: <p/ > 70 2F 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000173B9C70EB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:33:07 (36652): wrapper (7.9.26016): starting
01:33:07 (36652): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\Festplattenpogramme\Boinc\Boincy\slots\16\tmp already exists.
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
01:42:18 (36652): C:/Windows/system32/cmd.exe exited; CPU time 516.250000
01:42:18 (36652): called boinc_finish(0)
0 bytes in 0 Free Blocks.
352 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: 12241552 bytes.
Dumping objects ->
{1922} normal block at 0x0000021CE67ED300, 64 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1911} normal block at 0x0000021CE67EC1C0, 64 bytes long.
Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1900} normal block at 0x0000021CE67EC140, 64 bytes long.
Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74
{1889} normal block at 0x0000021CE67FE730, 64 bytes long.
Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{1878} normal block at 0x0000021CE67EE430, 64 bytes long.
Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C
{1847} normal block at 0x0000021CE67F6720, 80 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
..\api\boinc_api.cpp(309) : {1834} normal block at 0x0000021CE6805BA0, 8 bytes long.
Data: < | > 00 00 7C E6 1C 02 00 00
{304} normal block at 0x0000021CE68055B0, 8 bytes long.
Data: <@i > 40 69 80 E6 1C 02 00 00
{295} normal block at 0x0000021CE67F64E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000021CE6805E70, 16 bytes long.
Data: <Hh > 48 68 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021CE6806410, 16 bytes long.
Data: < h > 20 68 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021CE67FF9F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000021CE6805920, 16 bytes long.
Data: < g > F8 67 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021CE6805B50, 16 bytes long.
Data: < g > D0 67 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021CE68057E0, 16 bytes long.
Data: < g > A8 67 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021CE6805DD0, 16 bytes long.
Data: < g > 80 67 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021CE6804C00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000021CE6806460, 16 bytes long.
Data: < > 08 90 7F E6 1C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021CE67FFAB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000021CE68059C0, 16 bytes long.
Data: < > E0 8F 7F E6 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021CE6805EC0, 16 bytes long.
Data: < > B8 8F 7F E6 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021CE68060F0, 16 bytes long.
Data: < > 90 8F 7F E6 1C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021CE6805D80, 16 bytes long.
Data: <h > 68 8F 7F E6 1C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021CE6805560, 16 bytes long.
Data: <@ > 40 8F 7F E6 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021CE6805D30, 16 bytes long.
Data: < > 18 8F 7F E6 1C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021CE68002F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000021CE68058D0, 16 bytes long.
Data: < > F0 8E 7F E6 1C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021CE67F8EF0, 320 bytes long.
Data: < X > D0 58 80 E6 1C 02 00 00 F0 02 80 E6 1C 02 00 00
{274} normal block at 0x0000021CE6805970, 16 bytes long.
Data: <`g > 60 67 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CE68060A0, 16 bytes long.
Data: <8g > 38 67 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021CE67FF930, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000021CE6805B00, 16 bytes long.
Data: < g > 10 67 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021CE67FFDB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000021CE6805650, 16 bytes long.
Data: <Xf > 58 66 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021CE6805A60, 16 bytes long.
Data: <0f > 30 66 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021CE68064B0, 16 bytes long.
Data: < f > 08 66 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021CE6805740, 16 bytes long.
Data: < e > E0 65 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021CE6805A10, 16 bytes long.
Data: < e > B8 65 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021CE6805F10, 16 bytes long.
Data: < e > 90 65 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021CE6805C40, 16 bytes long.
Data: < K > 20 4B 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021CE6804B20, 40 bytes long.
Data: <@\ g > 40 5C 80 E6 1C 02 00 00 20 67 7F E6 1C 02 00 00
{260} normal block at 0x0000021CE6805AB0, 16 bytes long.
Data: <pe > 70 65 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021CE6805CE0, 16 bytes long.
Data: <He > 48 65 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021CE67FFED0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000021CE68056A0, 16 bytes long.
Data: < e > 20 65 80 E6 1C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021CE6806520, 992 bytes long.
Data: < V > A0 56 80 E6 1C 02 00 00 D0 FE 7F E6 1C 02 00 00
{92} normal block at 0x0000021CE67FFFF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000021CE67FF210, 16 bytes long.
Data: < ~ > C0 E3 7E E6 1C 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000021CE67EE3C0, 40 bytes long.
Data: < > 10 F2 7F E6 1C 02 00 00 F0 FF 7F E6 1C 02 00 00
{69} normal block at 0x0000021CE67FF120, 16 bytes long.
Data: < > 80 EA A6 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021CE67FF350, 16 bytes long.
Data: <@ > 40 E9 A6 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021CE67FEDB0, 16 bytes long.
Data: < W > F8 57 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021CE67FEFE0, 16 bytes long.
Data: < W > D8 57 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021CE67FF0D0, 16 bytes long.
Data: <P > 50 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021CE67FF260, 16 bytes long.
Data: <0 > 30 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021CE67FECC0, 16 bytes long.
Data: < > E0 02 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021CE67FF620, 16 bytes long.
Data: < > 10 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021CE67FE9A0, 16 bytes long.
Data: <p > 70 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021CE67FF490, 16 bytes long.
Data: < > 18 C0 A1 EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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