Task 38665567
| Name | test_659-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND1228_0 |
| Workunit | 31608657 |
| Created | 25 Oct 2026, 1:13:03 UTC |
| Sent | 25 Oct 2026, 1:26:20 UTC |
| Report deadline | 30 Oct 2026, 1:26:20 UTC |
| Received | 26 Oct 2026, 11:35:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593343 |
| Run time | 10 hours 12 min 42 sec |
| CPU time | 10 hours 0 min 20 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 2,906.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.75 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 3.18 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:55:07 (68748): wrapper (7.9.26016): starting
11:55:07 (68748): 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
11:55:09 (68748): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:55:09 (68748): 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:\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 'E:\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) : {3835516} normal block at 0x000001511CA5EA40, 8 bytes long.
Data: < Q > 00 00 A3 1C 51 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834036} normal block at 0x000001511E99EAD0, 1080 bytes long.
Data: < > E4 C1 00 00 CD CD CD CD E0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001511CA5FCD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:05:19 (69764): wrapper (7.9.26016): starting
18:05:23 (69764): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1780} normal block at 0x000002D279556840, 8 bytes long.
Data: < y > 00 00 A5 79 D2 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000002D279556E10, 1080 bytes long.
Data: < T > B0 0B 01 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
18:58:22 (73980): wrapper (7.9.26016): starting
18:58:22 (73980): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1780} normal block at 0x0000024FA05A5D30, 8 bytes long.
Data: < O > 00 00 04 A2 4F 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000024FA05A6C60, 1080 bytes long.
Data: < L > A0 F6 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
23:09:57 (70564): wrapper (7.9.26016): starting
23:09:57 (70564): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1780} normal block at 0x000002C04E745CB0, 8 bytes long.
Data: < N > 00 00 D7 4E C0 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000002C04E746E10, 1080 bytes long.
Data: < L > 20 16 01 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
15:19:13 (62680): wrapper (7.9.26016): starting
15:19:13 (62680): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1780} normal block at 0x0000025DCD5060C0, 8 bytes long.
Data: < ] > 00 00 98 CD 5D 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000025DCD506AF0, 1080 bytes long.
Data: < & P > DC 26 01 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
20:30:31 (41548): wrapper (7.9.26016): starting
20:30:31 (41548): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
20:33:37 (41548): C:/Windows/system32/cmd.exe exited; CPU time 122.765625
20:33:37 (41548): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 bytes in 8 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: 4058790 bytes.
Dumping objects ->
{1869} normal block at 0x000002158F145060, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1858} normal block at 0x000002158F144EA0, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1847} normal block at 0x000002158F144FF0, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{1836} normal block at 0x000002158F144CE0, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1825} normal block at 0x000002158F144C70, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{1794} normal block at 0x000002158F139400, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1783} normal block at 0x000002158F12B790, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1780} normal block at 0x000002158F146050, 8 bytes long.
Data: < > 00 00 0D 8F 15 02 00 00
{1034} normal block at 0x000002158F143830, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{301} normal block at 0x000002158F145AB0, 8 bytes long.
Data: <`l > 60 6C 14 8F 15 02 00 00
{292} normal block at 0x000002158F1366E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002158F1464B0, 16 bytes long.
Data: <hk > 68 6B 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002158F145D80, 16 bytes long.
Data: <@k > 40 6B 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002158F144920, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002158F145920, 16 bytes long.
Data: < k > 18 6B 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002158F146370, 16 bytes long.
Data: < j > F0 6A 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002158F146190, 16 bytes long.
Data: < j > C8 6A 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002158F1460F0, 16 bytes long.
Data: < j > A0 6A 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002158F1450D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002158F1462D0, 16 bytes long.
Data: <x > 78 E8 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002158F1440E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002158F1467D0, 16 bytes long.
Data: <P > 50 E8 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002158F145FB0, 16 bytes long.
Data: <( > 28 E8 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002158F146320, 16 bytes long.
Data: < > 00 E8 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002158F145F10, 16 bytes long.
Data: < > D8 E7 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002158F145A60, 16 bytes long.
Data: < > B0 E7 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002158F146730, 16 bytes long.
Data: < > 88 E7 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002158F144980, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002158F146280, 16 bytes long.
Data: <` > 60 E7 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002158F12E760, 320 bytes long.
Data: < b I > 80 62 14 8F 15 02 00 00 80 49 14 8F 15 02 00 00
{271} normal block at 0x000002158F145F60, 16 bytes long.
Data: < j > 80 6A 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002158F146640, 16 bytes long.
Data: <Xj > 58 6A 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002158F143CC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002158F145970, 16 bytes long.
Data: <0j > 30 6A 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002158F144080, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002158F1458D0, 16 bytes long.
Data: <xi > 78 69 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002158F145880, 16 bytes long.
Data: <Pi > 50 69 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002158F1466E0, 16 bytes long.
Data: <(i > 28 69 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002158F145A10, 16 bytes long.
Data: < i > 00 69 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002158F146690, 16 bytes long.
Data: < h > D8 68 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002158F145D30, 16 bytes long.
Data: < h > B0 68 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002158F1460A0, 16 bytes long.
Data: < R > 90 52 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002158F145290, 40 bytes long.
Data: < ` > A0 60 14 8F 15 02 00 00 00 94 13 8F 15 02 00 00
{257} normal block at 0x000002158F1465F0, 16 bytes long.
Data: < h > 90 68 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002158F145C40, 16 bytes long.
Data: <hh > 68 68 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002158F1448C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002158F146780, 16 bytes long.
Data: <@h > 40 68 14 8F 15 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002158F146840, 992 bytes long.
Data: < g H > 80 67 14 8F 15 02 00 00 C0 48 14 8F 15 02 00 00
{89} normal block at 0x000002158F144020, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002158F13F250, 16 bytes long.
Data: < > 10 D5 12 8F 15 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002158F12D510, 40 bytes long.
Data: <P @ > 50 F2 13 8F 15 02 00 00 20 40 14 8F 15 02 00 00
{64} normal block at 0x000002158F13F430, 16 bytes long.
Data: < 1 > 80 EA 31 AC F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002158F13F9D0, 16 bytes long.
Data: <@ 1 > 40 E9 31 AC F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002158F13EDA0, 16 bytes long.
Data: < W. > F8 57 2E AC F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002158F13F2A0, 16 bytes long.
Data: < W. > D8 57 2E AC F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002158F13FA20, 16 bytes long.
Data: <P . > 50 04 2E AC F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002158F13F390, 16 bytes long.
Data: <0 . > 30 04 2E AC F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002158F13EF80, 16 bytes long.
Data: < . > E0 02 2E AC F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002158F13F7F0, 16 bytes long.
Data: < . > 10 04 2E AC F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002158F13F890, 16 bytes long.
Data: <p . > 70 04 2E AC F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002158F13F070, 16 bytes long.
Data: < , > 18 C0 2C AC F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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