Task 38679434
| Name | test_22-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2898_0 |
| Workunit | 31621210 |
| Created | 26 Oct 2026, 20:34:36 UTC |
| Sent | 26 Oct 2026, 20:34:41 UTC |
| Report deadline | 31 Oct 2026, 20:34:41 UTC |
| Received | 27 Oct 2026, 1:20:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654622 |
| Run time | 1 hours 7 min 53 sec |
| CPU time | 50 min 49 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 | 7.16 GB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:30:54 (12292): wrapper (7.9.26016): starting
07:30:54 (12292): 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
07:30:55 (12292): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:30:55 (12292): 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
08:36:47 (12292): C:/Windows/system32/cmd.exe exited; CPU time 3049.593750
08:36:47 (12292): 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: 83891881 bytes.
Dumping objects ->
{3835294} normal block at 0x000001F1113FCAB0, 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 0x000001F1113FCA40, 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 0x000001F10F374A80, 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 0x000001F10F374A10, 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 0x000001F10F374E70, 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 0x000001F111444640, 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 0x000001F10F370630, 8 bytes long.
Data: < > 00 00 86 0F F1 01 00 00
{3834057} normal block at 0x000001F10F36FD20, 8 bytes long.
Data: <@C7 > 40 43 37 0F F1 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F10F370A10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F10F366B00, 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 0x000001F10F375A60, 16 bytes long.
Data: < i7 > D8 69 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F10F375D80, 16 bytes long.
Data: < i7 > B0 69 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F10F36EB70, 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 0x000001F10F3760A0, 16 bytes long.
Data: < i7 > 88 69 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F10F375CE0, 16 bytes long.
Data: <`i7 > 60 69 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F10F3763C0, 16 bytes long.
Data: <8i7 > 38 69 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F10F375F60, 16 bytes long.
Data: < i7 > 10 69 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F10F374D20, 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 0x000001F10F375B50, 16 bytes long.
Data: < 6 > E8 E7 36 0F F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F10F36EBD0, 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 0x000001F10F375740, 16 bytes long.
Data: < 6 > C0 E7 36 0F F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F10F375FB0, 16 bytes long.
Data: < 6 > 98 E7 36 0F F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F10F376640, 16 bytes long.
Data: <p 6 > 70 E7 36 0F F1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F10F3765F0, 16 bytes long.
Data: <H 6 > 48 E7 36 0F F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F10F375F10, 16 bytes long.
Data: < 6 > 20 E7 36 0F F1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F10F3756F0, 16 bytes long.
Data: < 6 > F8 E6 36 0F F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F10F36EAB0, 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 0x000001F10F376190, 16 bytes long.
Data: < 6 > D0 E6 36 0F F1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F10F36E6D0, 320 bytes long.
Data: < a7 6 > 90 61 37 0F F1 01 00 00 B0 EA 36 0F F1 01 00 00
{276} normal block at 0x000001F10F375E70, 16 bytes long.
Data: < h7 > F0 68 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F10F3764B0, 16 bytes long.
Data: < h7 > C8 68 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F10F36F1D0, 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 0x000001F10F375D30, 16 bytes long.
Data: < h7 > A0 68 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F10F36EFF0, 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 0x000001F10F375E20, 16 bytes long.
Data: < g7 > E8 67 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F10F3758D0, 16 bytes long.
Data: < g7 > C0 67 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F10F375DD0, 16 bytes long.
Data: < g7 > 98 67 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F10F375C90, 16 bytes long.
Data: <pg7 > 70 67 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F10F3762D0, 16 bytes long.
Data: <Hg7 > 48 67 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F10F375880, 16 bytes long.
Data: < g7 > 20 67 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F10F3765A0, 16 bytes long.
Data: < L7 > B0 4C 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F10F374CB0, 40 bytes long.
Data: < e7 @FD > A0 65 37 0F F1 01 00 00 40 46 44 11 F1 01 00 00
{262} normal block at 0x000001F10F375BA0, 16 bytes long.
Data: < g7 > 00 67 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F10F375EC0, 16 bytes long.
Data: < f7 > D8 66 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F10F36F350, 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 0x000001F10F376410, 16 bytes long.
Data: < f7 > B0 66 37 0F F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F10F3766B0, 992 bytes long.
Data: < d7 P 6 > 10 64 37 0F F1 01 00 00 50 F3 36 0F F1 01 00 00
{94} normal block at 0x000001F10F36EF90, 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 0x000001F10F36FAA0, 16 bytes long.
Data: <` 5 > 60 E1 35 0F F1 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001F10F35E160, 40 bytes long.
Data: < 6 6 > A0 FA 36 0F F1 01 00 00 90 EF 36 0F F1 01 00 00
{69} normal block at 0x000001F10F3701D0, 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 0x000001F10F3702C0, 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 0x000001F10F3705E0, 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 0x000001F10F370270, 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 0x000001F10F36FC30, 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 0x000001F10F36FA00, 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 0x000001F10F36FB90, 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 0x000001F10F36FB40, 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 0x000001F10F3704A0, 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 0x000001F10F36FAF0, 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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