Task 38661888
| Name | test_580-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND8245_1 |
| Workunit | 31604958 |
| Created | 24 Oct 2026, 16:28:05 UTC |
| Sent | 24 Oct 2026, 16:35:00 UTC |
| Report deadline | 29 Oct 2026, 16:35:00 UTC |
| Received | 24 Oct 2026, 20:45:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 28 min 30 sec |
| CPU time | 26 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.87 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:47:39 (15528): wrapper (7.9.26016): starting
09:47:39 (15528): 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
09:47:41 (15528): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:47:41 (15528): 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\1\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\1\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
10:16:20 (15528): C:/Windows/system32/cmd.exe exited; CPU time 1615.000000
10:16:20 (15528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 24302303 bytes.
Dumping objects ->
{3835569} normal block at 0x000001C4AC79C460, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x000001C4AA9F4270, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x000001C4AA9F4900, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x000001C4AA9F4890, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x000001C4AA9F47B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x000001C4AC7EA7C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x000001C4AAA192A0, 155 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) : {3835480} normal block at 0x000001C4AA9EE0E0, 8 bytes long.
Data: < l€ > 00 00 6C AC C4 01 00 00
{3834699} normal block at 0x000001C4AAA19700, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001C4AA9EE680, 8 bytes long.
Data: <`K‡¬Ä > 60 4B 87 AC C4 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C4AA9F0510, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C4AA9E59B0, 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 0x000001C4AA9F59A0, 16 bytes long.
Data: < _ŸªÄ > 18 5F 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C4AA9F4E60, 16 bytes long.
Data: <ð^ŸªÄ > F0 5E 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C4AA9EEEC0, 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 0x000001C4AA9F5A90, 16 bytes long.
Data: <È^ŸªÄ > C8 5E 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C4AA9F56D0, 16 bytes long.
Data: < ^ŸªÄ > A0 5E 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C4AA9F5680, 16 bytes long.
Data: <x^ŸªÄ > 78 5E 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C4AA9F5360, 16 bytes long.
Data: <P^ŸªÄ > 50 5E 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C4AA9F4430, 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 0x000001C4AA9F5B30, 16 bytes long.
Data: <xÝžªÄ > 78 DD 9E AA C4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C4AA9EF8E0, 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 0x000001C4AA9F5220, 16 bytes long.
Data: <PÝžªÄ > 50 DD 9E AA C4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C4AA9F57C0, 16 bytes long.
Data: <(ÝžªÄ > 28 DD 9E AA C4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C4AA9F52C0, 16 bytes long.
Data: < ÝžªÄ > 00 DD 9E AA C4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C4AA9F55E0, 16 bytes long.
Data: <ØÜžªÄ > D8 DC 9E AA C4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C4AA9F5810, 16 bytes long.
Data: <°ÜžªÄ > B0 DC 9E AA C4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C4AA9F5310, 16 bytes long.
Data: < ÜžªÄ > 88 DC 9E AA C4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C4AA9EF520, 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 0x000001C4AA9F4D20, 16 bytes long.
Data: <`ÜžªÄ > 60 DC 9E AA C4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C4AA9EDC60, 320 bytes long.
Data: < MŸªÄ õžªÄ > 20 4D 9F AA C4 01 00 00 20 F5 9E AA C4 01 00 00
{276} normal block at 0x000001C4AA9F54A0, 16 bytes long.
Data: <0^ŸªÄ > 30 5E 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C4AA9F4F50, 16 bytes long.
Data: < ^ŸªÄ > 08 5E 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C4AA9EF460, 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 0x000001C4AA9F4CD0, 16 bytes long.
Data: <à]ŸªÄ > E0 5D 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C4AA9EF1C0, 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 0x000001C4AA9F4DC0, 16 bytes long.
Data: <(]ŸªÄ > 28 5D 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C4AA9F5950, 16 bytes long.
Data: < ]ŸªÄ > 00 5D 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C4AA9F5090, 16 bytes long.
Data: <Ø\ŸªÄ > D8 5C 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C4AA9F54F0, 16 bytes long.
Data: <°\ŸªÄ > B0 5C 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C4AA9F5630, 16 bytes long.
Data: < \ŸªÄ > 88 5C 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C4AA9F5900, 16 bytes long.
Data: <`\ŸªÄ > 60 5C 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C4AA9F5540, 16 bytes long.
Data: <àBŸªÄ > E0 42 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C4AA9F42E0, 40 bytes long.
Data: <@UŸªÄ À§~¬Ä > 40 55 9F AA C4 01 00 00 C0 A7 7E AC C4 01 00 00
{262} normal block at 0x000001C4AA9F58B0, 16 bytes long.
Data: <@\ŸªÄ > 40 5C 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C4AA9F5450, 16 bytes long.
Data: < \ŸªÄ > 18 5C 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C4AA9EFDC0, 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 0x000001C4AA9F5590, 16 bytes long.
Data: <ð[ŸªÄ > F0 5B 9F AA C4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C4AA9F5BF0, 992 bytes long.
Data: < UŸªÄ ÀýžªÄ > 90 55 9F AA C4 01 00 00 C0 FD 9E AA C4 01 00 00
{94} normal block at 0x000001C4AA9EF220, 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 0x000001C4AA9EE090, 16 bytes long.
Data: <°ï ªÄ > B0 EF 9D AA C4 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C4AA9DEFB0, 40 bytes long.
Data: < àžªÄ òžªÄ > 90 E0 9E AA C4 01 00 00 20 F2 9E AA C4 01 00 00
{71} normal block at 0x000001C4AA9EE310, 16 bytes long.
Data: < ê#A÷ > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C4AA9EE630, 16 bytes long.
Data: <@é#A÷ > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C4AA9EECC0, 16 bytes long.
Data: <øW A÷ > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C4AA9EE9F0, 16 bytes long.
Data: <ØW A÷ > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C4AA9EE810, 16 bytes long.
Data: <P A÷ > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C4AA9EE450, 16 bytes long.
Data: <0 A÷ > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C4AA9EE040, 16 bytes long.
Data: <à A÷ > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C4AA9EDF50, 16 bytes long.
Data: < A÷ > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C4AA9EDFF0, 16 bytes long.
Data: <p A÷ > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C4AA9EE4F0, 16 bytes long.
Data: < À A÷ > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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