Task 38682556
| Name | test_541-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8000_0 |
| Workunit | 31624161 |
| Created | 27 Oct 2026, 8:12:22 UTC |
| Sent | 27 Oct 2026, 8:12:29 UTC |
| Report deadline | 1 Nov 2026, 8:12:29 UTC |
| Received | 27 Oct 2026, 12:57:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654622 |
| Run time | 55 min 1 sec |
| CPU time | 41 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,353.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.45 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:20:23 (41464): wrapper (7.9.26016): starting
19:20:23 (41464): 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
19:20:25 (41464): Library/usr/bin/tar.exe exited; CPU time 0.062500
19:20:25 (41464): 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\16\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\16\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
20:13:33 (41464): C:/Windows/system32/cmd.exe exited; CPU time 2519.296875
20:13:33 (41464): 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: 65964457 bytes.
Dumping objects ->
{3835294} normal block at 0x000002444A4AA450, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x000002444A4AA140, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x0000024448334F50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835261} normal block at 0x0000024448334E70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x0000024448334FC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835219} normal block at 0x000002444A4966C0, 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) : {3835205} normal block at 0x000002444832FAF0, 8 bytes long.
Data: < HD > 00 00 84 48 44 02 00 00
{3834057} normal block at 0x000002444832FE10, 8 bytes long.
Data: <@C3HD > 40 43 33 48 44 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024448330A10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024448326EF0, 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 0x0000024448335E70, 16 bytes long.
Data: < i3HD > D8 69 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024448335BA0, 16 bytes long.
Data: < i3HD > B0 69 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002444832F170, 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 0x00000244483356F0, 16 bytes long.
Data: < i3HD > 88 69 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024448336410, 16 bytes long.
Data: <`i3HD > 60 69 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000244483357E0, 16 bytes long.
Data: <8i3HD > 38 69 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024448336280, 16 bytes long.
Data: < i3HD > 10 69 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000244483349A0, 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 0x0000024448336640, 16 bytes long.
Data: < 2HD > E8 E7 32 48 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002444832EA50, 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 0x0000024448336370, 16 bytes long.
Data: < 2HD > C0 E7 32 48 44 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024448336320, 16 bytes long.
Data: < 2HD > 98 E7 32 48 44 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000244483363C0, 16 bytes long.
Data: <p 2HD > 70 E7 32 48 44 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024448336230, 16 bytes long.
Data: <H 2HD > 48 E7 32 48 44 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000244483362D0, 16 bytes long.
Data: < 2HD > 20 E7 32 48 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024448336190, 16 bytes long.
Data: < 2HD > F8 E6 32 48 44 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002444832EC30, 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 0x00000244483360A0, 16 bytes long.
Data: < 2HD > D0 E6 32 48 44 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002444832E6D0, 320 bytes long.
Data: < `3HD 0 2HD > A0 60 33 48 44 02 00 00 30 EC 32 48 44 02 00 00
{276} normal block at 0x00000244483365A0, 16 bytes long.
Data: < h3HD > F0 68 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000244483364B0, 16 bytes long.
Data: < h3HD > C8 68 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002444832EE70, 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 0x00000244483365F0, 16 bytes long.
Data: < h3HD > A0 68 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002444832EB70, 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 0x00000244483358D0, 16 bytes long.
Data: < g3HD > E8 67 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024448336050, 16 bytes long.
Data: < g3HD > C0 67 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024448336500, 16 bytes long.
Data: < g3HD > 98 67 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024448336000, 16 bytes long.
Data: <pg3HD > 70 67 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000244483361E0, 16 bytes long.
Data: <Hg3HD > 48 67 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024448335B50, 16 bytes long.
Data: < g3HD > 20 67 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024448335880, 16 bytes long.
Data: <0P3HD > 30 50 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024448335030, 40 bytes long.
Data: < X3HD fIJD > 80 58 33 48 44 02 00 00 C0 66 49 4A 44 02 00 00
{262} normal block at 0x0000024448335A60, 16 bytes long.
Data: < g3HD > 00 67 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024448335C40, 16 bytes long.
Data: < f3HD > D8 66 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002444832F890, 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 0x0000024448335E20, 16 bytes long.
Data: < f3HD > B0 66 33 48 44 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000244483366B0, 992 bytes long.
Data: < ^3HD 2HD > 20 5E 33 48 44 02 00 00 90 F8 32 48 44 02 00 00
{94} normal block at 0x000002444832EFF0, 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 0x0000024448330950, 16 bytes long.
Data: <` 1HD > 60 E1 31 48 44 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002444831E160, 40 bytes long.
Data: <P 3HD 2HD > 50 09 33 48 44 02 00 00 F0 EF 32 48 44 02 00 00
{69} normal block at 0x000002444832FFA0, 16 bytes long.
Data: < mt > 80 EA 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024448330720, 16 bytes long.
Data: <@ mt > 40 E9 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002444832FFF0, 16 bytes long.
Data: < Wjt > F8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002444832FD20, 16 bytes long.
Data: < Wjt > D8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002444832FA00, 16 bytes long.
Data: <P jt > 50 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024448330180, 16 bytes long.
Data: <0 jt > 30 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024448330900, 16 bytes long.
Data: < jt > E0 02 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002444832FCD0, 16 bytes long.
Data: < jt > 10 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000244483304F0, 16 bytes long.
Data: <p jt > 70 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002444832FE60, 16 bytes long.
Data: < ht > 18 C0 68 74 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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