Task 38654160
| Name | test_865-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND0962_0 |
| Workunit | 31597997 |
| Created | 24 Oct 2026, 6:48:13 UTC |
| Sent | 24 Oct 2026, 6:49:22 UTC |
| Report deadline | 29 Oct 2026, 6:49:22 UTC |
| Received | 24 Oct 2026, 7:42:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641545 |
| Run time | 25 min 35 sec |
| CPU time | 24 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,562.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 681.12 MB |
| Peak swap size | 5.41 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:03:16 (51428): wrapper (7.9.26016): starting
08:03:16 (51428): 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
08:03:17 (51428): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:03:17 (51428): 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 'E:\bonic2\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 'E:\bonic2\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) : {3835324} normal block at 0x0000026C73FCD040, 8 bytes long.
Data: < 4tl > 00 00 34 74 6C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x0000026C75C5D210, 1080 bytes long.
Data: < < > 98 B3 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000026C73FD29E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:10:11 (47156): wrapper (7.9.26016): starting
08:10:11 (47156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\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
08:33:51 (47156): C:/Windows/system32/cmd.exe exited; CPU time 1400.109375
08:33:51 (47156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 30758639 bytes.
Dumping objects ->
{1744} normal block at 0x000001F563C90690, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1733} normal block at 0x000001F563C8DA70, 32 bytes long.
Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1722} normal block at 0x000001F563C8E1F0, 32 bytes long.
Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C
{1711} normal block at 0x000001F563C8E250, 32 bytes long.
Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1700} normal block at 0x000001F563C8DCB0, 32 bytes long.
Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32
{1669} normal block at 0x000001F563C904D0, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001F563C94BE0, 8 bytes long.
Data: < c > 00 00 C5 63 F5 01 00 00
{319} normal block at 0x000001F563C95130, 8 bytes long.
Data: < ` c > C0 60 C9 63 F5 01 00 00
{310} normal block at 0x000001F563C80280, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x000001F563C94B90, 16 bytes long.
Data: < _ c > C8 5F C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001F563C954A0, 16 bytes long.
Data: < _ c > A0 5F C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001F563C8E490, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x000001F563C94730, 16 bytes long.
Data: <x_ c > 78 5F C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001F563C94780, 16 bytes long.
Data: <P_ c > 50 5F C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001F563C94E60, 16 bytes long.
Data: <(_ c > 28 5F C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001F563C94B40, 16 bytes long.
Data: < _ c > 00 5F C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001F563C901C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x000001F563C95540, 16 bytes long.
Data: <( c > 28 FE C8 63 F5 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F563C8E0D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x000001F563C94F00, 16 bytes long.
Data: < c > 00 FE C8 63 F5 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F563C951D0, 16 bytes long.
Data: < c > D8 FD C8 63 F5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F563C94AF0, 16 bytes long.
Data: < c > B0 FD C8 63 F5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F563C95630, 16 bytes long.
Data: < c > 88 FD C8 63 F5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F563C94AA0, 16 bytes long.
Data: <` c > 60 FD C8 63 F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F563C952C0, 16 bytes long.
Data: <8 c > 38 FD C8 63 F5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F563C8DD70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x000001F563C95450, 16 bytes long.
Data: < c > 10 FD C8 63 F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F563C8FD10, 320 bytes long.
Data: <PT c p c > 50 54 C9 63 F5 01 00 00 70 DD C8 63 F5 01 00 00
{289} normal block at 0x000001F563C94D70, 16 bytes long.
Data: < ^ c > E0 5E C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F563C94A50, 16 bytes long.
Data: < ^ c > B8 5E C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F563C8DB90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x000001F563C94A00, 16 bytes long.
Data: < ^ c > 90 5E C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F563C8E670, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x000001F563C94FF0, 16 bytes long.
Data: < ] c > D8 5D C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F563C94960, 16 bytes long.
Data: < ] c > B0 5D C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F563C950E0, 16 bytes long.
Data: < ] c > 88 5D C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F563C949B0, 16 bytes long.
Data: <`] c > 60 5D C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F563C94910, 16 bytes long.
Data: <8] c > 38 5D C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F563C95680, 16 bytes long.
Data: < ] c > 10 5D C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F563C94EB0, 16 bytes long.
Data: < c > 80 03 C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F563C90380, 40 bytes long.
Data: < N c c > B0 4E C9 63 F5 01 00 00 D0 04 C9 63 F5 01 00 00
{275} normal block at 0x000001F563C95400, 16 bytes long.
Data: < \ c > F0 5C C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F563C95180, 16 bytes long.
Data: < \ c > C8 5C C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F563C8E5B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x000001F563C95360, 16 bytes long.
Data: < \ c > A0 5C C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F563C95CA0, 992 bytes long.
Data: <`S c c > 60 53 C9 63 F5 01 00 00 B0 E5 C8 63 F5 01 00 00
{107} normal block at 0x000001F563C8E730, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x000001F563C8BA90, 16 bytes long.
Data: <p c > 70 00 C9 63 F5 01 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x000001F563C90070, 40 bytes long.
Data: < c 0 c > 90 BA C8 63 F5 01 00 00 30 E7 C8 63 F5 01 00 00
{84} normal block at 0x000001F563C8BE00, 16 bytes long.
Data: < =^ > 80 EA 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001F563C8C170, 16 bytes long.
Data: <@ =^ > 40 E9 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001F563C8BD60, 16 bytes long.
Data: < W:^ > F8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001F563C8C080, 16 bytes long.
Data: < W:^ > D8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001F563C8BA40, 16 bytes long.
Data: <P :^ > 50 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001F563C8BF90, 16 bytes long.
Data: <0 :^ > 30 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001F563C8B2C0, 16 bytes long.
Data: < :^ > E0 02 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001F563C8B900, 16 bytes long.
Data: < :^ > 10 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001F563C8C030, 16 bytes long.
Data: <p :^ > 70 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001F563C8BB30, 16 bytes long.
Data: < 8^ > 18 C0 38 5E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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