Task 38650715
| Name | test_911-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND9178_0 |
| Workunit | 31595196 |
| Created | 24 Oct 2026, 0:04:38 UTC |
| Sent | 24 Oct 2026, 0:23:11 UTC |
| Report deadline | 29 Oct 2026, 0:23:11 UTC |
| Received | 1 Nov 2026, 7:07:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654705 |
| Run time | 2 hours 29 min 59 sec |
| CPU time | 2 hours 20 min 18 sec |
| Validate state | Task was reported too late to validate |
| Credit | 0.00 |
| Device peak FLOPS | 12,138.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.52 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:43:21 (4288): wrapper (7.9.26016): starting
18:43:21 (4288): 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
18:43:23 (4288): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:43:23 (4288): 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) : {3835419} normal block at 0x0000023D4247B340, 8 bytes long.
Data: < E= > 00 00 CF 45 3D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834044} normal block at 0x0000023D4245D6F0, 1080 bytes long.
Data: < U , > F8 55 00 00 CD CD CD CD 2C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000023D4246C1C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:42:05 (12908): wrapper (7.9.26016): starting
19:42:05 (12908): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\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) : {1677} normal block at 0x0000022F9445B880, 8 bytes long.
Data: < / > 00 00 A1 94 2F 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000022F94477FA0, 1080 bytes long.
Data: < Q ` > 18 51 00 00 CD CD CD CD 60 00 00 00 00 00 00 00
Object dump complete.
17:37:16 (9472): wrapper (7.9.26016): starting
17:37:16 (9472): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\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) : {1674} normal block at 0x000002758729AE20, 8 bytes long.
Data: < r u > 00 00 72 87 75 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000275872B8B70, 1080 bytes long.
Data: < H > E8 48 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
17:59:03 (15800): wrapper (7.9.26016): starting
17:59:03 (15800): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\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) : {1674} normal block at 0x0000024A934F9C70, 8 bytes long.
Data: < L J > 00 00 4C 93 4A 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000024A934FE030, 1080 bytes long.
Data: <,= p > 2C 3D 00 00 CD CD CD CD 70 01 00 00 00 00 00 00
Object dump complete.
19:14:19 (21992): wrapper (7.9.26016): starting
19:14:19 (21992): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\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) : {1674} normal block at 0x00000175DC5AAD80, 8 bytes long.
Data: < u > 00 00 0A DE 75 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000175DC5ADB10, 1080 bytes long.
Data: < 3 x > DC 33 00 00 CD CD CD CD 78 01 00 00 00 00 00 00
Object dump complete.
19:45:25 (16768): wrapper (7.9.26016): starting
19:45:25 (16768): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\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) : {1674} normal block at 0x000001B592CCA0D0, 8 bytes long.
Data: < > 00 00 C9 92 B5 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001B592CCE160, 1080 bytes long.
Data: < A > 04 41 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
Object dump complete.
18:25:38 (22712): wrapper (7.9.26016): starting
18:25:38 (22712): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\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) : {1675} normal block at 0x0000026E6EC5A820, 8 bytes long.
Data: < nn > 00 00 C2 6E 6E 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000026E6EC5DBE0, 1080 bytes long.
Data: < < > AC 3C 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
Object dump complete.
15:09:47 (10164): wrapper (7.9.26016): starting
15:09:47 (10164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\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) : {1675} normal block at 0x0000019E8A416F90, 8 bytes long.
Data: < > 00 00 B4 8D 9E 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000019E8A41B480, 1080 bytes long.
Data: < > DC 08 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
16:01:41 (19424): wrapper (7.9.26016): starting
16:01:41 (19424): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\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
16:05:37 (19424): C:/Windows/system32/cmd.exe exited; CPU time 196.656250
16:05:37 (19424): 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: 3529458 bytes.
Dumping objects ->
{1763} normal block at 0x0000029669EE4C90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1752} normal block at 0x0000029669EE5160, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1741} normal block at 0x0000029669EE4C20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1730} normal block at 0x0000029669EE4E50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1719} normal block at 0x0000029669EE4F30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1688} normal block at 0x0000029669ECC030, 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) : {1675} normal block at 0x0000029669EE8920, 8 bytes long.
Data: < 7j > 00 00 37 6A 96 02 00 00
{301} normal block at 0x0000029669EE8100, 8 bytes long.
Data: <0 i > 30 C2 EE 69 96 02 00 00
{292} normal block at 0x0000029669ED0060, 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 0x0000029669EE7F20, 16 bytes long.
Data: <8 i > 38 C1 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029669EE7DE0, 16 bytes long.
Data: < i > 10 C1 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029669EE66B0, 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 0x0000029669EE7D90, 16 bytes long.
Data: < i > E8 C0 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029669EE7C50, 16 bytes long.
Data: < i > C0 C0 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029669EE7CA0, 16 bytes long.
Data: < i > 98 C0 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029669EE80B0, 16 bytes long.
Data: <p i > 70 C0 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029669EE50F0, 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 0x0000029669EE82E0, 16 bytes long.
Data: <H i > 48 BB EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029669EE5E10, 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 0x0000029669EE7C00, 16 bytes long.
Data: < i > 20 BB EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029669EE8AB0, 16 bytes long.
Data: < i > F8 BA EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029669EE8290, 16 bytes long.
Data: < i > D0 BA EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029669EE8A10, 16 bytes long.
Data: < i > A8 BA EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029669EE8970, 16 bytes long.
Data: < i > 80 BA EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029669EE8600, 16 bytes long.
Data: <X i > 58 BA EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029669EE5ED0, 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 0x0000029669EE8420, 16 bytes long.
Data: <0 i > 30 BA EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029669EEBA30, 320 bytes long.
Data: < i ^ i > 20 84 EE 69 96 02 00 00 D0 5E EE 69 96 02 00 00
{271} normal block at 0x0000029669EE7CF0, 16 bytes long.
Data: <P i > 50 C0 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029669EE85B0, 16 bytes long.
Data: <( i > 28 C0 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029669EE6830, 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 0x0000029669EE8240, 16 bytes long.
Data: < i > 00 C0 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029669EE5DB0, 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 0x0000029669EE7E30, 16 bytes long.
Data: <H i > 48 BF EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029669EE88D0, 16 bytes long.
Data: < i > 20 BF EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029669EE84C0, 16 bytes long.
Data: < i > F8 BE EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029669EE8560, 16 bytes long.
Data: < i > D0 BE EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029669EE7BB0, 16 bytes long.
Data: < i > A8 BE EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029669EE7B60, 16 bytes long.
Data: < i > 80 BE EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029669EE86F0, 16 bytes long.
Data: < R i > B0 52 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029669EE52B0, 40 bytes long.
Data: < i 0 i > F0 86 EE 69 96 02 00 00 30 C0 EC 69 96 02 00 00
{257} normal block at 0x0000029669EE7ED0, 16 bytes long.
Data: <` i > 60 BE EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000029669EE7D40, 16 bytes long.
Data: <8 i > 38 BE EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000029669EE6590, 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 0x0000029669EE8790, 16 bytes long.
Data: < i > 10 BE EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000029669EEBE10, 992 bytes long.
Data: < i e i > 90 87 EE 69 96 02 00 00 90 65 EE 69 96 02 00 00
{89} normal block at 0x0000029669EE5E70, 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 0x0000029669EE7E80, 16 bytes long.
Data: < P i > 10 50 EE 69 96 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000029669EE5010, 40 bytes long.
Data: < ~ i p^ i > 80 7E EE 69 96 02 00 00 70 5E EE 69 96 02 00 00
{64} normal block at 0x0000029669EDFBA0, 16 bytes long.
Data: < % > 80 EA ED 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029669EDFB50, 16 bytes long.
Data: <@ % > 40 E9 ED 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029669EDFB00, 16 bytes long.
Data: < W % > F8 57 EA 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000029669EDFC40, 16 bytes long.
Data: < W % > D8 57 EA 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000029669EDFD30, 16 bytes long.
Data: <P % > 50 04 EA 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000029669EDFAB0, 16 bytes long.
Data: <0 % > 30 04 EA 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000029669EDFA60, 16 bytes long.
Data: < % > E0 02 EA 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000029669EDF9C0, 16 bytes long.
Data: < % > 10 04 EA 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000029669EDF920, 16 bytes long.
Data: <p % > 70 04 EA 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000029669EDF510, 16 bytes long.
Data: < % > 18 C0 E8 25 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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