Task 38669695
| Name | test_999-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND0548_2 |
| Workunit | 31609976 |
| Created | 25 Oct 2026, 15:19:02 UTC |
| Sent | 25 Oct 2026, 15:19:14 UTC |
| Report deadline | 30 Oct 2026, 15:19:14 UTC |
| Received | 26 Oct 2026, 17:00:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640055 |
| Run time | 19 min 16 sec |
| CPU time | 18 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 46,380.59 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.95 MB |
| Peak swap size | 11.51 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:36:54 (18748): wrapper (7.9.26016): starting
17:36:54 (18748): 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
17:36:55 (18748): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:36:55 (18748): 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\14\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\14\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) : {3835108} normal block at 0x00000216A0A00E70, 8 bytes long.
Data: < > 00 00 99 A0 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000216A0ADEB70, 1080 bytes long.
Data: < > CC 0F 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000216A09F71A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:42:27 (22044): wrapper (7.9.26016): starting
17:42:27 (22044): 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\14\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
17:59:52 (22044): C:/Windows/system32/cmd.exe exited; CPU time 1032.734375
17:59:52 (22044): 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: 17397747 bytes.
Dumping objects ->
{1542} normal block at 0x0000021C8C014890, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x0000021C8C014C80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x0000021C8C014C10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x0000021C8C014B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x0000021C8C014820, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x0000021C8C00A110, 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) : {1454} normal block at 0x0000021C8C0156A0, 8 bytes long.
Data: < > 00 00 F8 8B 1C 02 00 00
{305} normal block at 0x0000021C8C015F60, 8 bytes long.
Data: < h > F0 68 01 8C 1C 02 00 00
{296} normal block at 0x0000021C8C007110, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000021C8C015BF0, 16 bytes long.
Data: < g > F8 67 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021C8C015970, 16 bytes long.
Data: < g > D0 67 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021C8C011650, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000021C8C015920, 16 bytes long.
Data: < g > A8 67 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021C8C015D80, 16 bytes long.
Data: < g > 80 67 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021C8C0158D0, 16 bytes long.
Data: <Xg > 58 67 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021C8C0156F0, 16 bytes long.
Data: <0g > 30 67 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021C8C014740, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000021C8C015600, 16 bytes long.
Data: <( > 28 FE FF 8B 1C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021C8C010DB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000021C8C015AB0, 16 bytes long.
Data: < > 00 FE FF 8B 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021C8C015CE0, 16 bytes long.
Data: < > D8 FD FF 8B 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021C8C015830, 16 bytes long.
Data: < > B0 FD FF 8B 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021C8C015DD0, 16 bytes long.
Data: < > 88 FD FF 8B 1C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021C8C015560, 16 bytes long.
Data: <` > 60 FD FF 8B 1C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021C8C015790, 16 bytes long.
Data: <8 > 38 FD FF 8B 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021C8C010CF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000021C8C015740, 16 bytes long.
Data: < > 10 FD FF 8B 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021C8BFFFD10, 320 bytes long.
Data: <@W > 40 57 01 8C 1C 02 00 00 F0 0C 01 8C 1C 02 00 00
{275} normal block at 0x0000021C8C016280, 16 bytes long.
Data: < g > 10 67 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021C8C0157E0, 16 bytes long.
Data: < f > E8 66 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021C8C010C90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000021C8C015BA0, 16 bytes long.
Data: < f > C0 66 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021C8C010C30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000021C8C016460, 16 bytes long.
Data: < f > 08 66 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021C8C015510, 16 bytes long.
Data: < e > E0 65 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021C8C0159C0, 16 bytes long.
Data: < e > B8 65 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021C8C015650, 16 bytes long.
Data: < e > 90 65 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021C8C0160F0, 16 bytes long.
Data: <he > 68 65 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021C8C015D30, 16 bytes long.
Data: <@e > 40 65 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021C8C015B00, 16 bytes long.
Data: < F > D0 46 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021C8C0146D0, 40 bytes long.
Data: < [ > 00 5B 01 8C 1C 02 00 00 10 A1 00 8C 1C 02 00 00
{261} normal block at 0x0000021C8C015880, 16 bytes long.
Data: < e > 20 65 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021C8C015B50, 16 bytes long.
Data: < d > F8 64 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021C8C0107B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000021C8C016140, 16 bytes long.
Data: < d > D0 64 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000021C8C0164D0, 992 bytes long.
Data: <@a > 40 61 01 8C 1C 02 00 00 B0 07 01 8C 1C 02 00 00
{93} normal block at 0x0000021C8C010870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000021C8C0105B0, 16 bytes long.
Data: < M > D0 4D 01 8C 1C 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000021C8C014DD0, 40 bytes long.
Data: < p > B0 05 01 8C 1C 02 00 00 70 08 01 8C 1C 02 00 00
{70} normal block at 0x0000021C8C0103D0, 16 bytes long.
Data: < u8 > 80 EA 75 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021C8C00F9D0, 16 bytes long.
Data: <@ u8 > 40 E9 75 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021C8C010380, 16 bytes long.
Data: < Wr8 > F8 57 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021C8C010330, 16 bytes long.
Data: < Wr8 > D8 57 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021C8C0102E0, 16 bytes long.
Data: <P r8 > 50 04 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021C8C00FD40, 16 bytes long.
Data: <0 r8 > 30 04 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021C8C00FF20, 16 bytes long.
Data: < r8 > E0 02 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021C8C010560, 16 bytes long.
Data: < r8 > 10 04 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021C8C010290, 16 bytes long.
Data: <p r8 > 70 04 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021C8C00FB60, 16 bytes long.
Data: < p8 > 18 C0 70 38 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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