Task 38658482
| Name | test_134-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND0862_0 |
| Workunit | 31602066 |
| Created | 24 Oct 2026, 12:43:32 UTC |
| Sent | 24 Oct 2026, 12:49:49 UTC |
| Report deadline | 29 Oct 2026, 12:49:49 UTC |
| Received | 24 Oct 2026, 15:10:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654491 |
| Run time | 1 hours 39 min 52 sec |
| CPU time | 1 hours 29 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.93 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 4.05 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:15:00 (21144): wrapper (7.9.26016): starting
22:15:00 (21144): 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
22:15:04 (21144): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:15:04 (21144): 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\9\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\9\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) : {3835522} normal block at 0x0000016BF6C6E3F0, 8 bytes long.
Data: < k > 00 00 C1 F6 6B 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834082} normal block at 0x0000016BF8C78500, 1080 bytes long.
Data: < | > DC 7C 00 00 CD CD CD CD E0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000016BF6C72050, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:38:40 (34672): wrapper (7.9.26016): starting
23:38:40 (34672): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\9\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1751} normal block at 0x000001F8E0317110, 8 bytes long.
Data: < - > 00 00 2D E0 F8 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001F8E0317870, 1080 bytes long.
Data: <L2 P > 4C 32 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
23:41:27 (11120): wrapper (7.9.26016): starting
23:41:27 (11120): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ÇÏÀ§ µð·ºÅ͸® ¶Ç´Â ÆÄÀÏ C:\ProgramData\BOINC\slots\9\tmpÀÌ(°¡) ÀÌ¹Ì ÀÖ½À´Ï´Ù.
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
00:09:08 (11120): C:/Windows/system32/cmd.exe exited; CPU time 1557.843750
00:09:08 (11120): 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: 36554126 bytes.
Dumping objects ->
{1839} normal block at 0x000001CC238C5D60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1828} normal block at 0x000001CC238C5C10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1817} normal block at 0x000001CC238C5A50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1806} normal block at 0x000001CC238C57B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1795} normal block at 0x000001CC238C5970, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1764} normal block at 0x000001CC238ABD80, 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) : {1751} normal block at 0x000001CC238C6E50, 8 bytes long.
Data: < 1% > 00 00 31 25 CC 01 00 00
{312} normal block at 0x000001CC238C6FE0, 8 bytes long.
Data: < z # > 10 7A 8C 23 CC 01 00 00
{303} normal block at 0x000001CC238B7810, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001CC238C6A90, 16 bytes long.
Data: < y # > 18 79 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001CC238C6A40, 16 bytes long.
Data: < x # > F0 78 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001CC238C0BF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001CC238C7300, 16 bytes long.
Data: < x # > C8 78 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001CC238C72B0, 16 bytes long.
Data: < x # > A0 78 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CC238C71C0, 16 bytes long.
Data: <xx # > 78 78 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CC238C7580, 16 bytes long.
Data: <Px # > 50 78 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CC238C5C80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001CC238C6950, 16 bytes long.
Data: <h # > 68 0A 8B 23 CC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CC238C0650, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001CC238C6DB0, 16 bytes long.
Data: <@ # > 40 0A 8B 23 CC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CC238C7530, 16 bytes long.
Data: < # > 18 0A 8B 23 CC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CC238C74E0, 16 bytes long.
Data: < # > F0 09 8B 23 CC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CC238C67C0, 16 bytes long.
Data: < # > C8 09 8B 23 CC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CC238C6CC0, 16 bytes long.
Data: < # > A0 09 8B 23 CC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CC238C7080, 16 bytes long.
Data: <x # > 78 09 8B 23 CC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CC238C0290, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001CC238C7170, 16 bytes long.
Data: <P # > 50 09 8B 23 CC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CC238B0950, 320 bytes long.
Data: <pq # # > 70 71 8C 23 CC 01 00 00 90 02 8C 23 CC 01 00 00
{282} normal block at 0x000001CC238C6B80, 16 bytes long.
Data: <0x # > 30 78 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CC238C6B30, 16 bytes long.
Data: < x # > 08 78 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CC238C0EF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001CC238C6C20, 16 bytes long.
Data: < w # > E0 77 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CC238C0710, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001CC238C6900, 16 bytes long.
Data: <(w # > 28 77 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CC238C7490, 16 bytes long.
Data: < w # > 00 77 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CC238C6F90, 16 bytes long.
Data: < v # > D8 76 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CC238C6E00, 16 bytes long.
Data: < v # > B0 76 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CC238C6F40, 16 bytes long.
Data: < v # > 88 76 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CC238C7260, 16 bytes long.
Data: <`v # > 60 76 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CC238C6EA0, 16 bytes long.
Data: < Y # > E0 59 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CC238C59E0, 40 bytes long.
Data: < n # # > A0 6E 8C 23 CC 01 00 00 80 BD 8A 23 CC 01 00 00
{268} normal block at 0x000001CC238C69F0, 16 bytes long.
Data: <@v # > 40 76 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CC238C6BD0, 16 bytes long.
Data: < v # > 18 76 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CC238C06B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001CC238C6680, 16 bytes long.
Data: < u # > F0 75 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CC238C75F0, 992 bytes long.
Data: < f # # > 80 66 8C 23 CC 01 00 00 B0 06 8C 23 CC 01 00 00
{100} normal block at 0x000001CC238C0DD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001CC238BE9E0, 16 bytes long.
Data: < [ # > A0 5B 8C 23 CC 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001CC238C5BA0, 40 bytes long.
Data: < # # > E0 E9 8B 23 CC 01 00 00 D0 0D 8C 23 CC 01 00 00
{75} normal block at 0x000001CC238BE3F0, 16 bytes long.
Data: < p > 80 EA DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001CC238BED00, 16 bytes long.
Data: <@ p > 40 E9 DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001CC238BE3A0, 16 bytes long.
Data: < W p > F8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CC238BE440, 16 bytes long.
Data: < W p > D8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CC238BE8F0, 16 bytes long.
Data: <P p > 50 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CC238BE300, 16 bytes long.
Data: <0 p > 30 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CC238BE490, 16 bytes long.
Data: < p > E0 02 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CC238BE350, 16 bytes long.
Data: < p > 10 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CC238BE8A0, 16 bytes long.
Data: <p p > 70 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CC238BEDF0, 16 bytes long.
Data: < p > 18 C0 DA 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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