Task 38692871
| Name | test_294-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3690_0 |
| Workunit | 31633715 |
| Created | 30 Oct 2026, 3:21:24 UTC |
| Sent | 30 Oct 2026, 3:21:27 UTC |
| Report deadline | 4 Nov 2026, 3:21:27 UTC |
| Received | 2 Nov 2026, 2:06:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 496274 |
| Run time | 1 hours 57 min 5 sec |
| CPU time | 1 hours 57 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,947.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 643.99 MB |
| Peak swap size | 2.31 GB |
| Peak disk usage | 4.44 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
11:24:22 (18920): wrapper (7.9.26016): starting
11:24:22 (18920): 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
11:24:25 (18920): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:24:25 (18920): 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) : {3835324} normal block at 0x0000027942DB8C30, 8 bytes long.
Data: < iDy > 00 00 69 44 79 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834058} normal block at 0x0000027944B610D0, 1080 bytes long.
Data: <X > 58 1A 00 00 CD CD CD CD C4 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027942DC3790, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:11:18 (9416): wrapper (7.9.26016): starting
13:11:18 (9416): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
¤l¥Ø¿ý©ÎÀÉ®× C:\ProgramData\BOINC\slots\0\tmp ¤w¸g¦s¦b¡C
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850007} normal block at 0x00000179EE418720, 8 bytes long.
Data: < ? y > 00 00 3F EE 79 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848741} normal block at 0x00000179EE40BE40, 1080 bytes long.
Data: < ] P > F4 5D 00 00 CD CD CD CD 50 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000179EE422F40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:42:26 (26936): wrapper (7.9.26016): starting
08:42:26 (26936): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
¤l¥Ø¿ý©ÎÀÉ®× C:\ProgramData\BOINC\slots\0\tmp ¤w¸g¦s¦b¡C
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850007} normal block at 0x0000022FC1637990, 8 bytes long.
Data: < / > 00 00 EC C2 2F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848741} normal block at 0x0000022FC3467720, 1080 bytes long.
Data: < > F4 1A 00 00 CD CD CD CD B8 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022FC1641B90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:27:04 (15960): wrapper (7.9.26016): starting
09:27:04 (15960): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
¤l¥Ø¿ý©ÎÀÉ®× C:\ProgramData\BOINC\slots\0\tmp ¤w¸g¦s¦b¡C
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
10:05:30 (15960): C:/Windows/system32/cmd.exe exited; CPU time 1852.937500
10:05:30 (15960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
532 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: 39325342 bytes.
Dumping objects ->
{3850096} normal block at 0x00000282519C5E30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850085} normal block at 0x00000282519C6530, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850074} normal block at 0x00000282519C6680, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850063} normal block at 0x00000282519C6300, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850052} normal block at 0x00000282519C64C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850021} normal block at 0x000002825384B120, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850010} normal block at 0x00000282538F0C10, 138 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) : {3850007} normal block at 0x00000282519969B0, 8 bytes long.
Data: < ES > 00 00 45 53 82 02 00 00
{3849360} normal block at 0x00000282538F0800, 138 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848742} normal block at 0x0000028251996F50, 8 bytes long.
Data: < l S > B0 6C 93 53 82 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000282519A15B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002825198AB60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000282519A2B90, 16 bytes long.
Data: < : Q > A8 3A 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000282519A2B40, 16 bytes long.
Data: < : Q > 80 3A 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002825199BB90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000282519A2960, 16 bytes long.
Data: <X: Q > 58 3A 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000282519A32C0, 16 bytes long.
Data: <0: Q > 30 3A 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000282519A2690, 16 bytes long.
Data: < : Q > 08 3A 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000282519A25F0, 16 bytes long.
Data: < 9 Q > E0 39 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002825199D7C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000282519A2640, 16 bytes long.
Data: < ` Q > 98 60 98 51 82 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002825199BB30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000282519A2AF0, 16 bytes long.
Data: <p` Q > 70 60 98 51 82 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000282519A3220, 16 bytes long.
Data: <H` Q > 48 60 98 51 82 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000282519A2870, 16 bytes long.
Data: < ` Q > 20 60 98 51 82 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000282519A28C0, 16 bytes long.
Data: < _ Q > F8 5F 98 51 82 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000282519A2F50, 16 bytes long.
Data: < _ Q > D0 5F 98 51 82 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000282519A25A0, 16 bytes long.
Data: < _ Q > A8 5F 98 51 82 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002825199B2F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000282519A2550, 16 bytes long.
Data: < _ Q > 80 5F 98 51 82 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028251985F80, 320 bytes long.
Data: <P% Q Q > 50 25 9A 51 82 02 00 00 F0 B2 99 51 82 02 00 00
{276} normal block at 0x00000282519A2AA0, 16 bytes long.
Data: < 9 Q > C0 39 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000282519A2A50, 16 bytes long.
Data: < 9 Q > 98 39 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002825199B590, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000282519A2E60, 16 bytes long.
Data: <p9 Q > 70 39 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002825199BC50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000282519A2D20, 16 bytes long.
Data: < 8 Q > B8 38 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000282519A2460, 16 bytes long.
Data: < 8 Q > 90 38 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000282519A31D0, 16 bytes long.
Data: <h8 Q > 68 38 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000282519A2500, 16 bytes long.
Data: <@8 Q > 40 38 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000282519A2CD0, 16 bytes long.
Data: < 8 Q > 18 38 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000282519A2A00, 16 bytes long.
Data: < 7 Q > F0 37 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000282519A2BE0, 16 bytes long.
Data: <` Q > 60 D3 99 51 82 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002825199D360, 40 bytes long.
Data: < + Q S > E0 2B 9A 51 82 02 00 00 20 B1 84 53 82 02 00 00
{262} normal block at 0x00000282519A23C0, 16 bytes long.
Data: < 7 Q > D0 37 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000282519A2F00, 16 bytes long.
Data: < 7 Q > A8 37 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002825199BA70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000282519A3130, 16 bytes long.
Data: < 7 Q > 80 37 9A 51 82 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000282519A3780, 992 bytes long.
Data: <01 Q p Q > 30 31 9A 51 82 02 00 00 70 BA 99 51 82 02 00 00
{94} normal block at 0x000002825199B410, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000282519971D0, 16 bytes long.
Data: < Q > F0 D2 99 51 82 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002825199D2F0, 40 bytes long.
Data: < q Q Q > D0 71 99 51 82 02 00 00 10 B4 99 51 82 02 00 00
{69} normal block at 0x0000028251996E60, 16 bytes long.
Data: < > 80 EA BF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028251996960, 16 bytes long.
Data: <@ > 40 E9 BF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028251996E10, 16 bytes long.
Data: < W > F8 57 BC F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000282519970E0, 16 bytes long.
Data: < W > D8 57 BC F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028251997040, 16 bytes long.
Data: <P > 50 04 BC F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028251997090, 16 bytes long.
Data: <0 > 30 04 BC F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000282519972C0, 16 bytes long.
Data: < > E0 02 BC F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000028251997180, 16 bytes long.
Data: < > 10 04 BC F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000028251996910, 16 bytes long.
Data: <p > 70 04 BC F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000282519968C0, 16 bytes long.
Data: < > 18 C0 BA F3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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