Task 38647021
| Name | test_861-GPUGRID_TEST_ATM_1000_20261023-0-1-RND0640_1 |
| Workunit | 31591698 |
| Created | 23 Oct 2026, 18:01:12 UTC |
| Sent | 23 Oct 2026, 18:18:02 UTC |
| Report deadline | 28 Oct 2026, 18:18:02 UTC |
| Received | 24 Oct 2026, 12:22:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607849 |
| Run time | 21 min 39 sec |
| CPU time | 19 min 16 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 35,485.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 699.36 MB |
| Peak swap size | 6.94 GB |
| Peak disk usage | 4.14 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:22:45 (7628): wrapper (7.9.26016): starting
20:22:45 (7628): 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
20:22:46 (7628): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:22:46 (7628): 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\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:\ProgramData\BOINC\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835182} normal block at 0x000001D3AA6CF7A0, 8 bytes long.
Data: < > 00 00 1C AC D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001D3AA7AEB70, 1080 bytes long.
Data: <X^ t > 58 5E 00 00 CD CD CD CD 74 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D3AA6D0170, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:01:12 (25220): wrapper (7.9.26016): starting
14:01:12 (25220): 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\0\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
14:21:40 (25220): C:/Windows/system32/cmd.exe exited; CPU time 1156.843750
14:21:40 (25220): 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: 21896704 bytes.
Dumping objects ->
{1611} normal block at 0x0000026C910752E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1600} normal block at 0x0000026C91075040, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1589} normal block at 0x0000026C91075430, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1578} normal block at 0x0000026C91075200, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1567} normal block at 0x0000026C91074EF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1536} normal block at 0x0000026C91069F60, 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) : {1523} normal block at 0x0000026C91077650, 8 bytes long.
Data: < l > 00 00 FE 90 6C 02 00 00
{310} normal block at 0x0000026C910777E0, 8 bytes long.
Data: <`} l > 60 7D 07 91 6C 02 00 00
{301} normal block at 0x0000026C91066D30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000026C910775B0, 16 bytes long.
Data: <h| l > 68 7C 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000026C91077060, 16 bytes long.
Data: <@| l > 40 7C 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026C91071B30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000026C910778D0, 16 bytes long.
Data: < | l > 18 7C 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026C91076980, 16 bytes long.
Data: < { l > F0 7B 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026C91077290, 16 bytes long.
Data: < { l > C8 7B 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026C910771A0, 16 bytes long.
Data: < { l > A0 7B 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026C91075270, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000026C910772E0, 16 bytes long.
Data: <8 l > 38 C0 05 91 6C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026C91071110, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000026C91077560, 16 bytes long.
Data: < l > 10 C0 05 91 6C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026C91077600, 16 bytes long.
Data: < l > E8 BF 05 91 6C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026C91077150, 16 bytes long.
Data: < l > C0 BF 05 91 6C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026C910774C0, 16 bytes long.
Data: < l > 98 BF 05 91 6C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026C91077880, 16 bytes long.
Data: <p l > 70 BF 05 91 6C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026C91077470, 16 bytes long.
Data: <H l > 48 BF 05 91 6C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026C91071A10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000026C91077240, 16 bytes long.
Data: < l > 20 BF 05 91 6C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026C9105BF20, 320 bytes long.
Data: <@r l l > 40 72 07 91 6C 02 00 00 10 1A 07 91 6C 02 00 00
{280} normal block at 0x0000026C91076C50, 16 bytes long.
Data: < { l > 80 7B 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026C91076C00, 16 bytes long.
Data: <X{ l > 58 7B 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026C91071B90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000026C91076AC0, 16 bytes long.
Data: <0{ l > 30 7B 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026C910715F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000026C91077420, 16 bytes long.
Data: <xz l > 78 7A 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026C910776A0, 16 bytes long.
Data: <Pz l > 50 7A 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026C91076A70, 16 bytes long.
Data: <(z l > 28 7A 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026C91077100, 16 bytes long.
Data: < z l > 00 7A 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026C91076E80, 16 bytes long.
Data: < y l > D8 79 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026C91077510, 16 bytes long.
Data: < y l > B0 79 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026C910773D0, 16 bytes long.
Data: < Q l > 90 51 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026C91075190, 40 bytes long.
Data: < s l ` l > D0 73 07 91 6C 02 00 00 60 9F 06 91 6C 02 00 00
{266} normal block at 0x0000026C91077010, 16 bytes long.
Data: < y l > 90 79 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026C91076BB0, 16 bytes long.
Data: <hy l > 68 79 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026C91071350, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000026C910771F0, 16 bytes long.
Data: <@y l > 40 79 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026C91077940, 992 bytes long.
Data: < q l P l > F0 71 07 91 6C 02 00 00 50 13 07 91 6C 02 00 00
{98} normal block at 0x0000026C91071650, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000026C9106E700, 16 bytes long.
Data: < Q l > 20 51 07 91 6C 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000026C91075120, 40 bytes long.
Data: < l P l > 00 E7 06 91 6C 02 00 00 50 16 07 91 6C 02 00 00
{75} normal block at 0x0000026C9106E750, 16 bytes long.
Data: < > 80 EA BA E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000026C9106EF70, 16 bytes long.
Data: <@ > 40 E9 BA E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026C9106EC50, 16 bytes long.
Data: < W > F8 57 B7 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026C9106E110, 16 bytes long.
Data: < W > D8 57 B7 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026C9106E160, 16 bytes long.
Data: <P > 50 04 B7 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026C9106E980, 16 bytes long.
Data: <0 > 30 04 B7 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026C9106E5C0, 16 bytes long.
Data: < > E0 02 B7 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026C9106E570, 16 bytes long.
Data: < > 10 04 B7 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026C9106EED0, 16 bytes long.
Data: <p > 70 04 B7 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026C9106E070, 16 bytes long.
Data: < > 18 C0 B5 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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