Task 38651511
| Name | test_126-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND0195_0 |
| Workunit | 31595869 |
| Created | 24 Oct 2026, 1:53:42 UTC |
| Sent | 24 Oct 2026, 1:59:43 UTC |
| Report deadline | 29 Oct 2026, 1:59:43 UTC |
| Received | 24 Oct 2026, 3:07:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640711 |
| Run time | 57 min 42 sec |
| CPU time | 57 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,852.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.34 MB |
| Peak swap size | 6.71 GB |
| Peak disk usage | 3.59 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:01:43 (21292): wrapper (7.9.26016): starting
22:01:43 (21292): 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
22:01:45 (21292): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:01:45 (21292): 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\17\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\17\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
23:06:09 (21292): C:/Windows/system32/cmd.exe exited; CPU time 3462.734375
23:06:09 (21292): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 36788785 bytes.
Dumping objects ->
{3835305} normal block at 0x0000013FFA60D7D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835294} normal block at 0x0000013FFA60DAE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x0000013FFA60CE30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835272} normal block at 0x0000013FFA60CCE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835261} normal block at 0x0000013FFA60CC70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835230} normal block at 0x0000013FFC35E6E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x0000013FFC3725C0, 102 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) : {3835216} normal block at 0x0000013FFA5E1DA0, 8 bytes long.
Data: < £ú? > 00 00 A3 FA 3F 01 00 00
{3834584} normal block at 0x0000013FFC3730C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833973} normal block at 0x0000013FFA5E18A0, 8 bytes long.
Data: < t;ü? > 90 74 3B FC 3F 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000013FFA5DC580, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000013FFA5D5F20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x0000013FFA5EA1F0, 16 bytes long.
Data: <8ª^ú? > 38 AA 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000013FFA5EA060, 16 bytes long.
Data: < ª^ú? > 10 AA 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000013FFA5E40C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x0000013FFA5E9D40, 16 bytes long.
Data: <è©^ú? > E8 A9 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000013FFA5E9A20, 16 bytes long.
Data: <À©^ú? > C0 A9 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000013FFA5E9BB0, 16 bytes long.
Data: < ©^ú? > 98 A9 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000013FFA5E9750, 16 bytes long.
Data: <p©^ú? > 70 A9 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000013FFA5E5370, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x0000013FFA5EA010, 16 bytes long.
Data: <(U]ú? > 28 55 5D FA 3F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000013FFA5E3820, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x0000013FFA5EA6A0, 16 bytes long.
Data: < U]ú? > 00 55 5D FA 3F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000013FFA5E9980, 16 bytes long.
Data: <ØT]ú? > D8 54 5D FA 3F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000013FFA5EA330, 16 bytes long.
Data: <°T]ú? > B0 54 5D FA 3F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000013FFA5E9840, 16 bytes long.
Data: < T]ú? > 88 54 5D FA 3F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000013FFA5EA600, 16 bytes long.
Data: <`T]ú? > 60 54 5D FA 3F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000013FFA5E97A0, 16 bytes long.
Data: <8T]ú? > 38 54 5D FA 3F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000013FFA5E3CA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x0000013FFA5E9930, 16 bytes long.
Data: < T]ú? > 10 54 5D FA 3F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000013FFA5D5410, 320 bytes long.
Data: <0 ^ú?  <^ú? > 30 99 5E FA 3F 01 00 00 A0 3C 5E FA 3F 01 00 00
{282} normal block at 0x0000013FFA5E9B60, 16 bytes long.
Data: <P©^ú? > 50 A9 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000013FFA5E9AC0, 16 bytes long.
Data: <(©^ú? > 28 A9 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000013FFA5E3D60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x0000013FFA5EA5B0, 16 bytes long.
Data: < ©^ú? > 00 A9 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000013FFA5E3B20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x0000013FFA5E98E0, 16 bytes long.
Data: <H¨^ú? > 48 A8 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000013FFA5E9FC0, 16 bytes long.
Data: < ¨^ú? > 20 A8 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000013FFA5E9890, 16 bytes long.
Data: <ø§^ú? > F8 A7 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000013FFA5EA3D0, 16 bytes long.
Data: <Ч^ú? > D0 A7 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000013FFA5E9C50, 16 bytes long.
Data: <¨§^ú? > A8 A7 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000013FFA5E9F70, 16 bytes long.
Data: < §^ú? > 80 A7 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000013FFA5EA100, 16 bytes long.
Data: < S^ú? > 00 53 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000013FFA5E5300, 40 bytes long.
Data: < ¡^ú? àæ5ü? > 00 A1 5E FA 3F 01 00 00 E0 E6 35 FC 3F 01 00 00
{268} normal block at 0x0000013FFA5E9F20, 16 bytes long.
Data: <`§^ú? > 60 A7 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000013FFA5E9DE0, 16 bytes long.
Data: <8§^ú? > 38 A7 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000013FFA5E3E20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x0000013FFA5E9CF0, 16 bytes long.
Data: < §^ú? > 10 A7 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000013FFA5EA710, 992 bytes long.
Data: <ðœ^ú? >^ú? > F0 9C 5E FA 3F 01 00 00 20 3E 5E FA 3F 01 00 00
{100} normal block at 0x0000013FFA5E3880, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x0000013FFA5E16C0, 16 bytes long.
Data: < R^ú? > 90 52 5E FA 3F 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000013FFA5E5290, 40 bytes long.
Data: <À ^ú? 8^ú? > C0 16 5E FA 3F 01 00 00 80 38 5E FA 3F 01 00 00
{77} normal block at 0x0000013FFA5E1CB0, 16 bytes long.
Data: < êï‘÷ > 80 EA EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000013FFA5E1C10, 16 bytes long.
Data: <@éï‘÷ > 40 E9 EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000013FFA5E20C0, 16 bytes long.
Data: <øWì‘÷ > F8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000013FFA5E13F0, 16 bytes long.
Data: <ØWì‘÷ > D8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000013FFA5E1D00, 16 bytes long.
Data: <P ì‘÷ > 50 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000013FFA5E1A80, 16 bytes long.
Data: <0 ì‘÷ > 30 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000013FFA5E1710, 16 bytes long.
Data: <à ì‘÷ > E0 02 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000013FFA5E1800, 16 bytes long.
Data: < ì‘÷ > 10 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000013FFA5E18F0, 16 bytes long.
Data: <p ì‘÷ > 70 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000013FFA5E22A0, 16 bytes long.
Data: < Àê‘÷ > 18 C0 EA 91 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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