Task 38652456
| Name | test_736-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND7362_0 |
| Workunit | 31596629 |
| Created | 24 Oct 2026, 3:54:23 UTC |
| Sent | 24 Oct 2026, 4:04:32 UTC |
| Report deadline | 29 Oct 2026, 4:04:32 UTC |
| Received | 25 Oct 2026, 5:16:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 608883 |
| Run time | 20 min 59 sec |
| CPU time | 18 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,871.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.22 MB |
| Peak swap size | 8.44 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:57:55 (33484): wrapper (7.9.26016): starting
21:57:55 (33484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835319} normal block at 0x00000200FC88E960, 8 bytes long.
Data: < > 00 00 E4 FC 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834092} normal block at 0x00000200FC96DDF0, 1080 bytes long.
Data: < > 0C F8 00 00 CD CD CD CD C4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x00000200FC893C30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:54:44 (33208): wrapper (7.9.26016): starting
09:54:44 (33208): 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
09:54:46 (33208): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:54:46 (33208): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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) : {1540} normal block at 0x000002EDAAD765D0, 8 bytes long.
Data: < > 00 00 D1 AA ED 02 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x000002EDAAD77410, 1080 bytes long.
Data: << \ > 3C B5 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
10:09:25 (45980): wrapper (7.9.26016): starting
10:09:26 (45980): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\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) : {1541} normal block at 0x00000205E8F36670, 8 bytes long.
Data: < > 00 00 EA E8 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000205E8F37460, 1080 bytes long.
Data: < X > 8C 01 01 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
13:07:56 (18428): wrapper (7.9.26016): starting
13:07:56 (18428): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\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) : {1541} normal block at 0x00000221CB206490, 8 bytes long.
Data: < ! > 00 00 1B CB 21 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000221CB207460, 1080 bytes long.
Data: < P > DC D1 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
14:08:41 (28416): wrapper (7.9.26016): starting
14:08:41 (28416): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\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
14:11:24 (28416): C:/Windows/system32/cmd.exe exited; CPU time 123.015625
14:11:24 (28416): 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: 5211384 bytes.
Dumping objects ->
{1629} normal block at 0x000001B4386A0C90, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1618} normal block at 0x000001B4386A0910, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1607} normal block at 0x000001B4386A0980, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1596} normal block at 0x000001B4386A1010, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1585} normal block at 0x000001B4386A0B40, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1554} normal block at 0x000001B438699810, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000001B4386A68A0, 8 bytes long.
Data: < a8 > 00 00 61 38 B4 01 00 00
{315} normal block at 0x000001B4386A6580, 8 bytes long.
Data: <`tj8 > 60 74 6A 38 B4 01 00 00
{306} normal block at 0x000001B438696AF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{305} normal block at 0x000001B4386A6CB0, 16 bytes long.
Data: <hsj8 > 68 73 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001B4386A6F80, 16 bytes long.
Data: <@sj8 > 40 73 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001B43869FB40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{302} normal block at 0x000001B4386A6F30, 16 bytes long.
Data: < sj8 > 18 73 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001B4386A6C10, 16 bytes long.
Data: < rj8 > F0 72 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001B4386A6E40, 16 bytes long.
Data: < rj8 > C8 72 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B4386A63A0, 16 bytes long.
Data: < rj8 > A0 72 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B4386A0E50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{297} normal block at 0x000001B4386A6850, 16 bytes long.
Data: <H i8 > 48 F6 69 38 B4 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B43869FAE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{295} normal block at 0x000001B4386A6BC0, 16 bytes long.
Data: < i8 > 20 F6 69 38 B4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B4386A6530, 16 bytes long.
Data: < i8 > F8 F5 69 38 B4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B4386A6AD0, 16 bytes long.
Data: < i8 > D0 F5 69 38 B4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B4386A6B70, 16 bytes long.
Data: < i8 > A8 F5 69 38 B4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B4386A64E0, 16 bytes long.
Data: < i8 > 80 F5 69 38 B4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B4386A60D0, 16 bytes long.
Data: <X i8 > 58 F5 69 38 B4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B4386A07A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{287} normal block at 0x000001B4386A6210, 16 bytes long.
Data: <0 i8 > 30 F5 69 38 B4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B43869F530, 320 bytes long.
Data: < bj8 j8 > 10 62 6A 38 B4 01 00 00 A0 07 6A 38 B4 01 00 00
{285} normal block at 0x000001B4386A68F0, 16 bytes long.
Data: < rj8 > 80 72 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B4386A6A80, 16 bytes long.
Data: <Xrj8 > 58 72 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B43869FC60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{282} normal block at 0x000001B4386A6760, 16 bytes long.
Data: <0rj8 > 30 72 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B4386A02C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{280} normal block at 0x000001B4386A69E0, 16 bytes long.
Data: <xqj8 > 78 71 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B4386A61C0, 16 bytes long.
Data: <Pqj8 > 50 71 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B4386A6300, 16 bytes long.
Data: <(qj8 > 28 71 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B4386A6940, 16 bytes long.
Data: < qj8 > 00 71 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B4386A6800, 16 bytes long.
Data: < pj8 > D8 70 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B4386A6710, 16 bytes long.
Data: < pj8 > B0 70 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B4386A6490, 16 bytes long.
Data: < j8 > A0 0F 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B4386A0FA0, 40 bytes long.
Data: < dj8 i8 > 90 64 6A 38 B4 01 00 00 10 98 69 38 B4 01 00 00
{271} normal block at 0x000001B4386A6A30, 16 bytes long.
Data: < pj8 > 90 70 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B4386A66C0, 16 bytes long.
Data: <hpj8 > 68 70 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B4386A0800, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{268} normal block at 0x000001B4386A6670, 16 bytes long.
Data: <@pj8 > 40 70 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B4386A7040, 992 bytes long.
Data: <pfj8 j8 > 70 66 6A 38 B4 01 00 00 00 08 6A 38 B4 01 00 00
{103} normal block at 0x000001B4386A0260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{102} normal block at 0x000001B43869DE70, 16 bytes long.
Data: < j8 > E0 0D 6A 38 B4 01 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x000001B4386A0DE0, 40 bytes long.
Data: <p i8 ` j8 > 70 DE 69 38 B4 01 00 00 60 02 6A 38 B4 01 00 00
{78} normal block at 0x000001B43869DD80, 16 bytes long.
Data: < > 80 EA E9 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001B43869E730, 16 bytes long.
Data: <@ > 40 E9 E9 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001B43869E6E0, 16 bytes long.
Data: < W > F8 57 E6 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001B43869E410, 16 bytes long.
Data: < W > D8 57 E6 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001B43869E140, 16 bytes long.
Data: <P > 50 04 E6 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B43869E690, 16 bytes long.
Data: <0 > 30 04 E6 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B43869E3C0, 16 bytes long.
Data: < > E0 02 E6 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B43869DCE0, 16 bytes long.
Data: < > 10 04 E6 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B43869D920, 16 bytes long.
Data: <p > 70 04 E6 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B43869E550, 16 bytes long.
Data: < > 18 C0 E4 1F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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