Task 38666754
| Name | test_837-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND3551_2 |
| Workunit | 31608944 |
| Created | 25 Oct 2026, 4:38:07 UTC |
| Sent | 25 Oct 2026, 5:05:58 UTC |
| Report deadline | 30 Oct 2026, 5:05:58 UTC |
| Received | 26 Oct 2026, 14:29:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627510 |
| Run time | 8 hours 58 min 23 sec |
| CPU time | 8 hours 34 min 51 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 8,090.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.83 MB |
| Peak swap size | 6.84 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
03:47:47 (17504): wrapper (7.9.26016): starting
03:47:47 (17504): 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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835150} normal block at 0x000001DC19E5E7B0, 8 bytes long.
Data: < > 00 00 85 1B DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x000001DC19E89760, 1080 bytes long.
Data: < H > C4 48 00 00 CD CD CD CD C4 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001DC19E60140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:30:50 (21152): wrapper (7.9.26016): starting
06:30:50 (21152): 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
06:30:51 (21152): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:30:51 (21152): 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\18\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\18\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.
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
15:29:12 (21152): C:/Windows/system32/cmd.exe exited; CPU time 30891.046875
15:29:12 (21152): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 545627891 bytes.
Dumping objects ->
{1586} normal block at 0x000001DCA6BA3FE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x000001DCA6BA4280, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1564} normal block at 0x000001DCA6BA4210, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1553} normal block at 0x000001DCA6BA40C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1542} normal block at 0x000001DCA6BA4130, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1511} normal block at 0x000001DCA6B8EE60, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1500} normal block at 0x000001DCA6B8B500, 144 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) : {1497} normal block at 0x000001DCA6BA4D60, 8 bytes long.
Data: < > 00 00 F6 A6 DC 01 00 00
{897} normal block at 0x000001DCA6B8C0C0, 144 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{302} normal block at 0x000001DCA6BA5170, 8 bytes long.
Data: < ] > 80 5D BA A6 DC 01 00 00
{294} normal block at 0x000001DCA6B95730, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001DCA6BA53A0, 16 bytes long.
Data: < \ > 88 5C BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DCA6BA5350, 16 bytes long.
Data: <`\ > 60 5C BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DCA6B9EF30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001DCA6BA4B30, 16 bytes long.
Data: <8\ > 38 5C BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DCA6BA4D10, 16 bytes long.
Data: < \ > 10 5C BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DCA6BA4CC0, 16 bytes long.
Data: < [ > E8 5B BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DCA6BA55D0, 16 bytes long.
Data: < [ > C0 5B BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DCA6BA46E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001DCA6BA4A40, 16 bytes long.
Data: <x > 78 86 B9 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DCA6B9EED0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001DCA6BA5620, 16 bytes long.
Data: <P > 50 86 B9 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DCA6BA57B0, 16 bytes long.
Data: <( > 28 86 B9 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DCA6BA4AE0, 16 bytes long.
Data: < > 00 86 B9 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DCA6BA49F0, 16 bytes long.
Data: < > D8 85 B9 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DCA6BA4EF0, 16 bytes long.
Data: < > B0 85 B9 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DCA6BA4A90, 16 bytes long.
Data: < > 88 85 B9 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DCA6B9EE70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001DCA6BA54E0, 16 bytes long.
Data: <` > 60 85 B9 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DCA6B98560, 320 bytes long.
Data: < T p > E0 54 BA A6 DC 01 00 00 70 EE B9 A6 DC 01 00 00
{273} normal block at 0x000001DCA6BA4E50, 16 bytes long.
Data: < [ > A0 5B BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DCA6BA5210, 16 bytes long.
Data: <x[ > 78 5B BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DCA6B9F230, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001DCA6BA58F0, 16 bytes long.
Data: <P[ > 50 5B BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DCA6B9F4D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001DCA6BA4EA0, 16 bytes long.
Data: < Z > 98 5A BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DCA6BA5710, 16 bytes long.
Data: <pZ > 70 5A BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DCA6BA4F90, 16 bytes long.
Data: <HZ > 48 5A BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DCA6BA4C20, 16 bytes long.
Data: < Z > 20 5A BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DCA6BA58A0, 16 bytes long.
Data: < Y > F8 59 BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DCA6BA5300, 16 bytes long.
Data: < Y > D0 59 BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DCA6BA4E00, 16 bytes long.
Data: < D > B0 44 BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DCA6BA44B0, 40 bytes long.
Data: < N ` > 00 4E BA A6 DC 01 00 00 60 EE B8 A6 DC 01 00 00
{259} normal block at 0x000001DCA6BA5850, 16 bytes long.
Data: < Y > B0 59 BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DCA6BA4C70, 16 bytes long.
Data: < Y > 88 59 BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DCA6B9F170, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001DCA6BA5440, 16 bytes long.
Data: <`Y > 60 59 BA A6 DC 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DCA6BA5960, 992 bytes long.
Data: <@T p > 40 54 BA A6 DC 01 00 00 70 F1 B9 A6 DC 01 00 00
{91} normal block at 0x000001DCA6B9F7D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001DCA6B9E760, 16 bytes long.
Data: < > F0 ED B8 A6 DC 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001DCA6B8EDF0, 40 bytes long.
Data: <` > 60 E7 B9 A6 DC 01 00 00 D0 F7 B9 A6 DC 01 00 00
{68} normal block at 0x000001DCA6B9E8F0, 16 bytes long.
Data: < ; > 80 EA F8 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DCA6B9E6C0, 16 bytes long.
Data: <@ ; > 40 E9 F8 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DCA6B9DEF0, 16 bytes long.
Data: < W ; > F8 57 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DCA6B9E710, 16 bytes long.
Data: < W ; > D8 57 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DCA6B9E1C0, 16 bytes long.
Data: <P ; > 50 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DCA6B9E0D0, 16 bytes long.
Data: <0 ; > 30 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DCA6B9DF90, 16 bytes long.
Data: < ; > E0 02 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DCA6B9E170, 16 bytes long.
Data: < ; > 10 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DCA6B9E2B0, 16 bytes long.
Data: <p ; > 70 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DCA6B9EA30, 16 bytes long.
Data: < ; > 18 C0 F3 3B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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