Task 38688377
| Name | test_30-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0637_0 |
| Workunit | 31629731 |
| Created | 28 Oct 2026, 13:30:12 UTC |
| Sent | 28 Oct 2026, 13:30:16 UTC |
| Report deadline | 2 Nov 2026, 13:30:16 UTC |
| Received | 28 Oct 2026, 14:06:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627872 |
| Run time | 22 min 39 sec |
| CPU time | 20 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 45,115.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.08 MB |
| Peak swap size | 6.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:44:34 (9236): wrapper (7.9.26016): starting
14:44:34 (9236): 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
14:44:35 (9236): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:44:35 (9236): 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
15:06:23 (9236): C:/Windows/system32/cmd.exe exited; CPU time 1226.265625
15:06:23 (9236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 29539497 bytes.
Dumping objects ->
{3835263} normal block at 0x00000241BBBB0CD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835252} normal block at 0x00000241BBBB0DB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835241} normal block at 0x00000241BBBB0330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835230} normal block at 0x00000241B9E72980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x00000241B9E72F30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835188} normal block at 0x00000241BBB0AC00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x00000241B9E98E80, 180 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) : {3835174} normal block at 0x00000241B9E6DB80, 8 bytes long.
Data: < ß¹A > 00 00 DF B9 41 02 00 00
{3834566} normal block at 0x00000241B9E997E0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x00000241B9E6DA40, 8 bytes long.
Data: < †¶»A > 20 86 B6 BB 41 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000241B9E66D60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000241B9E5F9E0, 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 0x00000241B9E73220, 16 bytes long.
Data: <(Gç¹A > 28 47 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000241B9E735E0, 16 bytes long.
Data: < Gç¹A > 00 47 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000241B9E6EA30, 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 0x00000241B9E73270, 16 bytes long.
Data: <ØFç¹A > D8 46 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000241B9E73680, 16 bytes long.
Data: <°Fç¹A > B0 46 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000241B9E73130, 16 bytes long.
Data: < Fç¹A > 88 46 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000241B9E73090, 16 bytes long.
Data: <`Fç¹A > 60 46 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000241B9E72C90, 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 0x00000241B9E73310, 16 bytes long.
Data: < ×æ¹A > 88 D7 E6 B9 41 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000241B9E6EFD0, 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 0x00000241B9E73040, 16 bytes long.
Data: <`×æ¹A > 60 D7 E6 B9 41 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000241B9E73D60, 16 bytes long.
Data: <8×æ¹A > 38 D7 E6 B9 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000241B9E73E50, 16 bytes long.
Data: < ×æ¹A > 10 D7 E6 B9 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000241B9E73B30, 16 bytes long.
Data: <èÖæ¹A > E8 D6 E6 B9 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000241B9E734A0, 16 bytes long.
Data: <ÀÖæ¹A > C0 D6 E6 B9 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000241B9E737C0, 16 bytes long.
Data: < Öæ¹A > 98 D6 E6 B9 41 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000241B9E6EC70, 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 0x00000241B9E73630, 16 bytes long.
Data: <pÖæ¹A > 70 D6 E6 B9 41 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000241B9E6D670, 320 bytes long.
Data: <06ç¹A pìæ¹A > 30 36 E7 B9 41 02 00 00 70 EC E6 B9 41 02 00 00
{277} normal block at 0x00000241B9E73F90, 16 bytes long.
Data: <@Fç¹A > 40 46 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000241B9E73C70, 16 bytes long.
Data: < Fç¹A > 18 46 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000241B9E6EEB0, 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 0x00000241B9E73CC0, 16 bytes long.
Data: <ðEç¹A > F0 45 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000241B9E6F090, 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 0x00000241B9E73E00, 16 bytes long.
Data: <8Eç¹A > 38 45 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000241B9E73EF0, 16 bytes long.
Data: < Eç¹A > 10 45 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000241B9E73D10, 16 bytes long.
Data: <èDç¹A > E8 44 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000241B9E73A90, 16 bytes long.
Data: <ÀDç¹A > C0 44 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000241B9E73400, 16 bytes long.
Data: < Dç¹A > 98 44 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000241B9E73EA0, 16 bytes long.
Data: <pDç¹A > 70 44 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000241B9E73F40, 16 bytes long.
Data: <0(ç¹A > 30 28 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000241B9E72830, 40 bytes long.
Data: <@?ç¹A ¬°»A > 40 3F E7 B9 41 02 00 00 00 AC B0 BB 41 02 00 00
{263} normal block at 0x00000241B9E73720, 16 bytes long.
Data: <PDç¹A > 50 44 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000241B9E73AE0, 16 bytes long.
Data: <(Dç¹A > 28 44 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000241B9E6EB50, 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 0x00000241B9E73C20, 16 bytes long.
Data: < Dç¹A > 00 44 E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000241B9E74400, 992 bytes long.
Data: < <ç¹A Pëæ¹A > 20 3C E7 B9 41 02 00 00 50 EB E6 B9 41 02 00 00
{95} normal block at 0x00000241B9E6E9D0, 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 0x00000241B9E6E7B0, 16 bytes long.
Data: < ,ç¹A > 20 2C E7 B9 41 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000241B9E72C20, 40 bytes long.
Data: <°çæ¹A Ðéæ¹A > B0 E7 E6 B9 41 02 00 00 D0 E9 E6 B9 41 02 00 00
{72} normal block at 0x00000241B9E6DE00, 16 bytes long.
Data: < êÈÒ÷ > 80 EA C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000241B9E6DDB0, 16 bytes long.
Data: <@éÈÒ÷ > 40 E9 C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000241B9E6E170, 16 bytes long.
Data: <øWÅÒ÷ > F8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000241B9E6DC70, 16 bytes long.
Data: <ØWÅÒ÷ > D8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000241B9E6E710, 16 bytes long.
Data: <P ÅÒ÷ > 50 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000241B9E6E3A0, 16 bytes long.
Data: <0 ÅÒ÷ > 30 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000241B9E6E5D0, 16 bytes long.
Data: <à ÅÒ÷ > E0 02 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000241B9E6E350, 16 bytes long.
Data: < ÅÒ÷ > 10 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000241B9E6E0D0, 16 bytes long.
Data: <p ÅÒ÷ > 70 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000241B9E6D9F0, 16 bytes long.
Data: < ÀÃÒ÷ > 18 C0 C3 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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