Task 38669713
| Name | test_556-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND0069_0 |
| Workunit | 31612028 |
| Created | 25 Oct 2026, 15:23:41 UTC |
| Sent | 25 Oct 2026, 15:23:48 UTC |
| Report deadline | 30 Oct 2026, 15:23:48 UTC |
| Received | 25 Oct 2026, 18:44:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 539539 |
| Run time | 1 hours 2 min 19 sec |
| CPU time | 1 hours 1 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,056.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 670.26 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:28:54 (20244): wrapper (7.9.26016): starting
17:28:54 (20244): 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
17:28:55 (20244): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:28:55 (20244): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835183} normal block at 0x000001462DA29160, 8 bytes long.
Data: < -F > 00 00 A0 2D 46 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000001462F668380, 1080 bytes long.
Data: < ` > 10 08 00 00 CD CD CD CD 60 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001462DA2EA10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:52:51 (1296): wrapper (7.9.26016): starting
17:52:51 (1296): 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) : {1536} normal block at 0x0000022B9AAE2340, 8 bytes long.
Data: < + > 00 00 A9 9A 2B 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000022B9AAE34A0, 1080 bytes long.
Data: < H > C0 1C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:09:14 (5228): wrapper (7.9.26016): starting
19:09:14 (5228): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x000001261B662D70, 8 bytes long.
Data: < ` & > 00 00 60 1B 26 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001261B663880, 1080 bytes long.
Data: <,, H > 2C 2C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:32:21 (13084): wrapper (7.9.26016): starting
19:32:21 (13084): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\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
19:43:49 (13084): C:/Windows/system32/cmd.exe exited; CPU time 658.968750
19:43:49 (13084): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 10634683 bytes.
Dumping objects ->
{1625} normal block at 0x0000023269843A00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1614} normal block at 0x00000232698434C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x0000023269843530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1592} normal block at 0x0000023269843920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x00000232698436F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1550} normal block at 0x000002326983D130, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1539} normal block at 0x000002326983D090, 85 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) : {1536} normal block at 0x00000232698449C0, 8 bytes long.
Data: < i2 > 00 00 80 69 32 02 00 00
{908} normal block at 0x0000023269825D80, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x0000023269844880, 8 bytes long.
Data: <@T i2 > 40 54 84 69 32 02 00 00
{289} normal block at 0x000002326982AD90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000232698447E0, 16 bytes long.
Data: <HS i2 > 48 53 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023269844650, 16 bytes long.
Data: < S i2 > 20 53 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002326983DCE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000023269844560, 16 bytes long.
Data: < R i2 > F8 52 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023269844100, 16 bytes long.
Data: < R i2 > D0 52 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000232698441F0, 16 bytes long.
Data: < R i2 > A8 52 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023269844510, 16 bytes long.
Data: < R i2 > 80 52 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023269843680, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000232698440B0, 16 bytes long.
Data: <X i2 > 58 D3 83 69 32 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002326983DEC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000023269844470, 16 bytes long.
Data: <0 i2 > 30 D3 83 69 32 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023269844740, 16 bytes long.
Data: < i2 > 08 D3 83 69 32 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023269844420, 16 bytes long.
Data: < i2 > E0 D2 83 69 32 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023269844CE0, 16 bytes long.
Data: < i2 > B8 D2 83 69 32 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023269844FB0, 16 bytes long.
Data: < i2 > 90 D2 83 69 32 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023269844380, 16 bytes long.
Data: <h i2 > 68 D2 83 69 32 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002326983DE00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000232698441A0, 16 bytes long.
Data: <@ i2 > 40 D2 83 69 32 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002326983D240, 320 bytes long.
Data: < A i2 i2 > A0 41 84 69 32 02 00 00 00 DE 83 69 32 02 00 00
{268} normal block at 0x00000232698443D0, 16 bytes long.
Data: <`R i2 > 60 52 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023269844600, 16 bytes long.
Data: <8R i2 > 38 52 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002326983D6E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000023269844290, 16 bytes long.
Data: < R i2 > 10 52 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002326983E0A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000023269844330, 16 bytes long.
Data: <XQ i2 > 58 51 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023269844D80, 16 bytes long.
Data: <0Q i2 > 30 51 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023269844240, 16 bytes long.
Data: < Q i2 > 08 51 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000232698442E0, 16 bytes long.
Data: < P i2 > E0 50 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023269844150, 16 bytes long.
Data: < P i2 > B8 50 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000232698445B0, 16 bytes long.
Data: < P i2 > 90 50 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023269844D30, 16 bytes long.
Data: < 5 i2 > A0 35 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000232698435A0, 40 bytes long.
Data: <0M i2 0 i2 > 30 4D 84 69 32 02 00 00 30 D1 83 69 32 02 00 00
{254} normal block at 0x0000023269844F60, 16 bytes long.
Data: <pP i2 > 70 50 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000023269844BF0, 16 bytes long.
Data: <HP i2 > 48 50 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002326983E220, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000232698444C0, 16 bytes long.
Data: < P i2 > 20 50 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000023269845020, 992 bytes long.
Data: < D i2 i2 > C0 44 84 69 32 02 00 00 20 E2 83 69 32 02 00 00
{86} normal block at 0x000002326983D560, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000232698382D0, 16 bytes long.
Data: < 8 i2 > B0 38 84 69 32 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000232698438B0, 40 bytes long.
Data: < i2 ` i2 > D0 82 83 69 32 02 00 00 60 D5 83 69 32 02 00 00
{63} normal block at 0x0000023269837920, 16 bytes long.
Data: < % > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023269837830, 16 bytes long.
Data: <@ % > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023269837A60, 16 bytes long.
Data: < W" > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023269837560, 16 bytes long.
Data: < W" > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000232698380A0, 16 bytes long.
Data: <P " > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000232698381E0, 16 bytes long.
Data: <0 " > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023269838050, 16 bytes long.
Data: < " > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023269838000, 16 bytes long.
Data: < " > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000023269838190, 16 bytes long.
Data: <p " > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000023269837510, 16 bytes long.
Data: < > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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