Task 38695413
| Name | test_118-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4911_0 |
| Workunit | 31636119 |
| Created | 31 Oct 2026, 10:16:15 UTC |
| Sent | 31 Oct 2026, 10:16:19 UTC |
| Report deadline | 5 Nov 2026, 10:16:19 UTC |
| Received | 31 Oct 2026, 12:56:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605459 |
| Run time | 2 hours 29 min 1 sec |
| CPU time | 2 hours 21 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,097.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 737.20 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:28:17 (91876): wrapper (7.9.26016): starting
07:28:17 (91876): 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
07:28:20 (91876): Library/usr/bin/tar.exe exited; CPU time 0.031250
07:28:20 (91876): 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\12\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\12\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
09:56:14 (91876): C:/Windows/system32/cmd.exe exited; CPU time 8503.203125
09:56:14 (91876): 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: 157618233 bytes.
Dumping objects ->
{3835432} normal block at 0x000001A8D8EDAEF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835421} normal block at 0x000001A8D8EDA6A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835410} normal block at 0x000001A8D8EDABE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835399} normal block at 0x000001A8D8EDA550, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835388} normal block at 0x000001A8D8EDA940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835357} normal block at 0x000001A8D8E7B520, 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) : {3835344} normal block at 0x000001A8D6AECB70, 8 bytes long.
Data: < àÖ¨ > 00 00 E0 D6 A8 01 00 00
{3833963} normal block at 0x000001A8D6AECAD0, 8 bytes long.
Data: <@Fõب > 40 46 F5 D8 A8 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A8D6AE0260, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001A8D6AE87E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001A8D6AF5350, 16 bytes long.
Data: <H[¯Ö¨ > 48 5B AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A8D6AF5300, 16 bytes long.
Data: < [¯Ö¨ > 20 5B AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A8D6AEFBE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001A8D6AF4860, 16 bytes long.
Data: <øZ¯Ö¨ > F8 5A AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A8D6AF5170, 16 bytes long.
Data: <ÐZ¯Ö¨ > D0 5A AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A8D6AF4950, 16 bytes long.
Data: <¨Z¯Ö¨ > A8 5A AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A8D6AF5120, 16 bytes long.
Data: < Z¯Ö¨ > 80 5A AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A8D6AF3710, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001A8D6AF4B80, 16 bytes long.
Data: <hô­Ö¨ > 68 F4 AD D6 A8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A8D6AF09C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001A8D6AF5620, 16 bytes long.
Data: <@ô­Ö¨ > 40 F4 AD D6 A8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A8D6AF4DB0, 16 bytes long.
Data: < ô­Ö¨ > 18 F4 AD D6 A8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A8D6AF5760, 16 bytes long.
Data: <ðó­Ö¨ > F0 F3 AD D6 A8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A8D6AF52B0, 16 bytes long.
Data: <Èó­Ö¨ > C8 F3 AD D6 A8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A8D6AF5260, 16 bytes long.
Data: < ó­Ö¨ > A0 F3 AD D6 A8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A8D6AF56C0, 16 bytes long.
Data: <xó­Ö¨ > 78 F3 AD D6 A8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A8D6AEFDC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001A8D6AF50D0, 16 bytes long.
Data: <Pó­Ö¨ > 50 F3 AD D6 A8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A8D6ADF350, 320 bytes long.
Data: <ÐP¯Ö¨ Àý®Ö¨ > D0 50 AF D6 A8 01 00 00 C0 FD AE D6 A8 01 00 00
{277} normal block at 0x000001A8D6AF5080, 16 bytes long.
Data: <`Z¯Ö¨ > 60 5A AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A8D6AF5490, 16 bytes long.
Data: <8Z¯Ö¨ > 38 5A AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A8D6AF07E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001A8D6AF4FE0, 16 bytes long.
Data: < Z¯Ö¨ > 10 5A AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A8D6AF0660, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001A8D6AF4F90, 16 bytes long.
Data: <XY¯Ö¨ > 58 59 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A8D6AF4900, 16 bytes long.
Data: <0Y¯Ö¨ > 30 59 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A8D6AF4EA0, 16 bytes long.
Data: < Y¯Ö¨ > 08 59 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A8D6AF4B30, 16 bytes long.
Data: <àX¯Ö¨ > E0 58 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A8D6AF4EF0, 16 bytes long.
Data: <¸X¯Ö¨ > B8 58 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A8D6AF51C0, 16 bytes long.
Data: < X¯Ö¨ > 90 58 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A8D6AF4D60, 16 bytes long.
Data: <@2¯Ö¨ > 40 32 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A8D6AF3240, 40 bytes long.
Data: <`M¯Ö¨ µçب > 60 4D AF D6 A8 01 00 00 20 B5 E7 D8 A8 01 00 00
{263} normal block at 0x000001A8D6AF5210, 16 bytes long.
Data: <pX¯Ö¨ > 70 58 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A8D6AF4E50, 16 bytes long.
Data: <HX¯Ö¨ > 48 58 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A8D6AF05A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001A8D6AF54E0, 16 bytes long.
Data: < X¯Ö¨ > 20 58 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A8D6AF5820, 992 bytes long.
Data: <àT¯Ö¨   ¯Ö¨ > E0 54 AF D6 A8 01 00 00 A0 05 AF D6 A8 01 00 00
{95} normal block at 0x000001A8D6AF0A80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001A8D6AEC670, 16 bytes long.
Data: <Ð1¯Ö¨ > D0 31 AF D6 A8 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001A8D6AF31D0, 40 bytes long.
Data: <pƮ֨ ¯Ö¨ > 70 C6 AE D6 A8 01 00 00 80 0A AF D6 A8 01 00 00
{72} normal block at 0x000001A8D6AEC620, 16 bytes long.
Data: < ꣕ö > 80 EA A3 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A8D6AEC440, 16 bytes long.
Data: <@飕ö > 40 E9 A3 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A8D6AEC300, 16 bytes long.
Data: <øW •ö > F8 57 A0 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A8D6AECFD0, 16 bytes long.
Data: <ØW •ö > D8 57 A0 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A8D6AED0C0, 16 bytes long.
Data: <P  •ö > 50 04 A0 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A8D6AECD00, 16 bytes long.
Data: <0  •ö > 30 04 A0 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A8D6AEC8A0, 16 bytes long.
Data: <à  •ö > E0 02 A0 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A8D6AECA30, 16 bytes long.
Data: <  •ö > 10 04 A0 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A8D6AEC2B0, 16 bytes long.
Data: <p  •ö > 70 04 A0 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A8D6AEC530, 16 bytes long.
Data: < Àž•ö > 18 C0 9E 95 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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