Task 38689182
| Name | test_468-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0109_1 |
| Workunit | 31630250 |
| Created | 28 Oct 2026, 19:00:18 UTC |
| Sent | 28 Oct 2026, 19:00:23 UTC |
| Report deadline | 2 Nov 2026, 19:00:23 UTC |
| Received | 28 Oct 2026, 19:57:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613730 |
| Run time | 29 min 28 sec |
| CPU time | 24 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.45 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:27:30 (32704): wrapper (7.9.26016): starting
20:27:30 (32704): 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
20:27:31 (32704): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:27:31 (32704): 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\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 'C:\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.
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
20:55:50 (32704): C:/Windows/system32/cmd.exe exited; CPU time 1459.187500
20:55:50 (32704): 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: 36412387 bytes.
Dumping objects ->
{3835716} normal block at 0x0000024D82C2B9F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835705} normal block at 0x0000024D82C2C160, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835694} normal block at 0x0000024D82C2C320, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835683} normal block at 0x0000024D82C2BA60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835672} normal block at 0x0000024D82C2BD70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835641} normal block at 0x0000024D84888EB0, 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) : {3835628} normal block at 0x0000024D82C00040, 8 bytes long.
Data: < »‚M > 00 00 BB 82 4D 02 00 00
{3833972} normal block at 0x0000024D82BFFD70, 8 bytes long.
Data: <ðeŽ„M > F0 65 8E 84 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000024D82BFB270, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000024D82BF53D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000024D82C08CA0, 16 bytes long.
Data: <X“À‚M > 58 93 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024D82C08110, 16 bytes long.
Data: <0“À‚M > 30 93 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024D82C02810, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000024D82C083E0, 16 bytes long.
Data: < “À‚M > 08 93 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024D82C08AC0, 16 bytes long.
Data: <à’À‚M > E0 92 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024D82C08570, 16 bytes long.
Data: <¸’À‚M > B8 92 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024D82C08C00, 16 bytes long.
Data: < ’À‚M > 90 92 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024D82C04080, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000024D82C080C0, 16 bytes long.
Data: <X㾂M > 58 E3 BE 82 4D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024D82C02AB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000024D82C08750, 16 bytes long.
Data: <0㾂M > 30 E3 BE 82 4D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024D82C08520, 16 bytes long.
Data: < 㾂M > 08 E3 BE 82 4D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024D82C082A0, 16 bytes long.
Data: <à⾂M > E0 E2 BE 82 4D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024D82C08980, 16 bytes long.
Data: <¸â¾‚M > B8 E2 BE 82 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024D82C08070, 16 bytes long.
Data: < ⾂M > 90 E2 BE 82 4D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024D82C08ED0, 16 bytes long.
Data: <h⾂M > 68 E2 BE 82 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024D82C024B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000024D82C082F0, 16 bytes long.
Data: <@⾂M > 40 E2 BE 82 4D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024D82BEE240, 320 bytes long.
Data: <ð‚À‚M °$À‚M > F0 82 C0 82 4D 02 00 00 B0 24 C0 82 4D 02 00 00
{279} normal block at 0x0000024D82C08D40, 16 bytes long.
Data: <p’À‚M > 70 92 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024D82C088E0, 16 bytes long.
Data: <H’À‚M > 48 92 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024D82C020F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000024D82C084D0, 16 bytes long.
Data: < ’À‚M > 20 92 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024D82C028D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000024D82C08660, 16 bytes long.
Data: <h‘À‚M > 68 91 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024D82C08840, 16 bytes long.
Data: <@‘À‚M > 40 91 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024D82C08A70, 16 bytes long.
Data: < ‘À‚M > 18 91 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024D82C08C50, 16 bytes long.
Data: <ð À‚M > F0 90 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024D82C08480, 16 bytes long.
Data: <È À‚M > C8 90 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024D82C08700, 16 bytes long.
Data: <  À‚M > A0 90 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024D82C08F70, 16 bytes long.
Data: <Ð:À‚M > D0 3A C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024D82C03AD0, 40 bytes long.
Data: <pÀ‚M °Ž „M > 70 8F C0 82 4D 02 00 00 B0 8E 88 84 4D 02 00 00
{265} normal block at 0x0000024D82C08340, 16 bytes long.
Data: < À‚M > 80 90 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024D82C08610, 16 bytes long.
Data: <X À‚M > 58 90 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024D82C023F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000024D82C08E30, 16 bytes long.
Data: <0 À‚M > 30 90 C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024D82C09030, 992 bytes long.
Data: <0ŽÀ‚M ð#À‚M > 30 8E C0 82 4D 02 00 00 F0 23 C0 82 4D 02 00 00
{97} normal block at 0x0000024D82C02C30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000024D82C00310, 16 bytes long.
Data: < =À‚M > 00 3D C0 82 4D 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000024D82C03D00, 40 bytes long.
Data: < À‚M 0,À‚M > 10 03 C0 82 4D 02 00 00 30 2C C0 82 4D 02 00 00
{74} normal block at 0x0000024D82C001D0, 16 bytes long.
Data: < ê2 ÷ > 80 EA 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000024D82BFFDC0, 16 bytes long.
Data: <@é2 ÷ > 40 E9 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024D82C00C70, 16 bytes long.
Data: <øW/ ÷ > F8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024D82BFFE10, 16 bytes long.
Data: <ØW/ ÷ > D8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024D82BFFEB0, 16 bytes long.
Data: <P / ÷ > 50 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024D82C00C20, 16 bytes long.
Data: <0 / ÷ > 30 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024D82BFFF00, 16 bytes long.
Data: <à / ÷ > E0 02 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024D82C00630, 16 bytes long.
Data: < / ÷ > 10 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024D82C00BD0, 16 bytes long.
Data: <p / ÷ > 70 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024D82C002C0, 16 bytes long.
Data: < À- ÷ > 18 C0 2D BD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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