Task 38675140
| Name | test_987-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3826_0 |
| Workunit | 31617137 |
| Created | 26 Oct 2026, 7:23:50 UTC |
| Sent | 26 Oct 2026, 7:23:53 UTC |
| Report deadline | 31 Oct 2026, 7:23:53 UTC |
| Received | 26 Oct 2026, 9:12:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627736 |
| Run time | 1 hours 22 min 56 sec |
| CPU time | 1 hours 21 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,258.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 684.13 MB |
| Peak swap size | 9.71 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:50:09 (32036): wrapper (7.9.26016): starting
02:50:09 (32036): 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
02:50:11 (32036): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:50:11 (32036): 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\0\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\0\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
04:11:52 (32036): C:/Windows/system32/cmd.exe exited; CPU time 4888.046875
04:11:52 (32036): 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: 91020299 bytes.
Dumping objects ->
{3835186} normal block at 0x0000019083B8D1B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x0000019081CF49C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835164} normal block at 0x0000019081CF4870, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835153} normal block at 0x0000019081CF4950, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835142} normal block at 0x0000019081CF4800, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835111} normal block at 0x0000019083BD64F0, 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) : {3835098} normal block at 0x0000019081CEE580, 8 bytes long.
Data: < <‚ > 00 00 3C 82 90 01 00 00
{3833959} normal block at 0x0000019081CEF0C0, 8 bytes long.
Data: <Ð:Ã > D0 3A C3 83 90 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000019081CF0B90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019081CE5C40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000019081CF5300, 16 bytes long.
Data: <(bÏ > 28 62 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019081CF5D00, 16 bytes long.
Data: < bÏ > 00 62 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019081CF0300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000019081CF4F90, 16 bytes long.
Data: <ØaÏ > D8 61 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019081CF5440, 16 bytes long.
Data: <°aÏ > B0 61 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019081CF5800, 16 bytes long.
Data: < aÏ > 88 61 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019081CF5BC0, 16 bytes long.
Data: <`aÏ > 60 61 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019081CF44F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000019081CF5CB0, 16 bytes long.
Data: <¨ Î > A8 8D CE 81 90 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019081CEFD00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000019081CF5490, 16 bytes long.
Data: < Î > 80 8D CE 81 90 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019081CF50D0, 16 bytes long.
Data: <X Î > 58 8D CE 81 90 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019081CF5E90, 16 bytes long.
Data: <0 Î > 30 8D CE 81 90 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019081CF58A0, 16 bytes long.
Data: < Î > 08 8D CE 81 90 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019081CF5C60, 16 bytes long.
Data: <àŒÎ > E0 8C CE 81 90 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019081CF52B0, 16 bytes long.
Data: <¸ŒÎ > B8 8C CE 81 90 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019081CEFCA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000019081CF5B70, 16 bytes long.
Data: < ŒÎ > 90 8C CE 81 90 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019081CE8C90, 320 bytes long.
Data: <p[Ï  üÎ > 70 5B CF 81 90 01 00 00 A0 FC CE 81 90 01 00 00
{275} normal block at 0x0000019081CF51C0, 16 bytes long.
Data: <@aÏ > 40 61 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019081CF5350, 16 bytes long.
Data: < aÏ > 18 61 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019081CF01E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000019081CF5DA0, 16 bytes long.
Data: <ð`Ï > F0 60 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019081CEFB80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000019081CF4FE0, 16 bytes long.
Data: <8`Ï > 38 60 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019081CF5580, 16 bytes long.
Data: < `Ï > 10 60 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019081CF5AD0, 16 bytes long.
Data: <è_Ï > E8 5F CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019081CF56C0, 16 bytes long.
Data: <À_Ï > C0 5F CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019081CF5850, 16 bytes long.
Data: < _Ï > 98 5F CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019081CF5670, 16 bytes long.
Data: <p_Ï > 70 5F CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019081CF57B0, 16 bytes long.
Data: < GÏ > 90 47 CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019081CF4790, 40 bytes long.
Data: <°WÏ ðd½ƒ > B0 57 CF 81 90 01 00 00 F0 64 BD 83 90 01 00 00
{261} normal block at 0x0000019081CF54E0, 16 bytes long.
Data: <P_Ï > 50 5F CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019081CF5A80, 16 bytes long.
Data: <(_Ï > 28 5F CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019081CF0120, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000019081CF5C10, 16 bytes long.
Data: < _Ï > 00 5F CF 81 90 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019081CF5F00, 992 bytes long.
Data: < \Ï Ï > 10 5C CF 81 90 01 00 00 20 01 CF 81 90 01 00 00
{93} normal block at 0x0000019081CF02A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000019081CEED00, 16 bytes long.
Data: <pÓÍ > 70 D3 CD 81 90 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000019081CDD370, 40 bytes long.
Data: < íÎ   Ï > 00 ED CE 81 90 01 00 00 A0 02 CF 81 90 01 00 00
{70} normal block at 0x0000019081CEF160, 16 bytes long.
Data: < êì—ö > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019081CEE8A0, 16 bytes long.
Data: <@éì—ö > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019081CEEC60, 16 bytes long.
Data: <øWé—ö > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019081CEF110, 16 bytes long.
Data: <ØWé—ö > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019081CEE3F0, 16 bytes long.
Data: <P é—ö > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019081CEEE90, 16 bytes long.
Data: <0 é—ö > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019081CEF2F0, 16 bytes long.
Data: <à é—ö > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019081CEF070, 16 bytes long.
Data: < é—ö > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019081CEE850, 16 bytes long.
Data: <p é—ö > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019081CEEE40, 16 bytes long.
Data: < Àç—ö > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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