Task 38678401
| Name | test_706-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2434_0 |
| Workunit | 31620222 |
| Created | 26 Oct 2026, 17:17:02 UTC |
| Sent | 26 Oct 2026, 17:17:06 UTC |
| Report deadline | 31 Oct 2026, 17:17:06 UTC |
| Received | 26 Oct 2026, 19:33:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652544 |
| Run time | 45 min 16 sec |
| CPU time | 42 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,076.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.05 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 4.05 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:49:06 (40648): wrapper (7.9.26016): starting
19:49:06 (40648): 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
19:49:08 (40648): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:49:08 (40648): 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\5\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\5\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
20:32:05 (40648): C:/Windows/system32/cmd.exe exited; CPU time 2547.812500
20:32:05 (40648): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 66714897 bytes.
Dumping objects ->
{3835258} normal block at 0x00000155B0361560, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x00000155B0360A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x00000155B03612C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835225} normal block at 0x00000155B0360ED0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x00000155B03607D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835183} normal block at 0x00000155B040BBA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x00000155B04F3B20, 141 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) : {3835169} normal block at 0x00000155AE7C5CE0, 8 bytes long.
Data: < "°U > 00 00 22 B0 55 01 00 00
{3834553} normal block at 0x00000155B04F3F30, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x00000155AE7C58D0, 8 bytes long.
Data: < ª{®U > 80 AA 7B AE 55 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000155AE7D0BF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000155AE7D1B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000155AE7D2400, 16 bytes long.
Data: < /}®U > 18 2F 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000155AE7D2270, 16 bytes long.
Data: <ð.}®U > F0 2E 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000155AE7CB990, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000155AE7D22C0, 16 bytes long.
Data: <È.}®U > C8 2E 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000155AE7D2590, 16 bytes long.
Data: < .}®U > A0 2E 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000155AE7D2090, 16 bytes long.
Data: <x.}®U > 78 2E 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000155AE7D2360, 16 bytes long.
Data: <P.}®U > 50 2E 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000155AE7CA550, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000155AE7D2A90, 16 bytes long.
Data: <È }®U > C8 1A 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000155AE7CC5F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000155AE7D29F0, 16 bytes long.
Data: <  }®U > A0 1A 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000155AE7D1D20, 16 bytes long.
Data: <x }®U > 78 1A 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000155AE7D1CD0, 16 bytes long.
Data: <P }®U > 50 1A 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000155AE7D26D0, 16 bytes long.
Data: <( }®U > 28 1A 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000155AE7D27C0, 16 bytes long.
Data: < }®U > 00 1A 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000155AE7D1E60, 16 bytes long.
Data: <Ø }®U > D8 19 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000155AE7CB870, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000155AE7D1FA0, 16 bytes long.
Data: <° }®U > B0 19 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000155AE7D19B0, 320 bytes long.
Data: <  }®U p¸|®U > A0 1F 7D AE 55 01 00 00 70 B8 7C AE 55 01 00 00
{269} normal block at 0x00000155AE7D1DC0, 16 bytes long.
Data: <0.}®U > 30 2E 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000155AE7D2180, 16 bytes long.
Data: < .}®U > 08 2E 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000155AE7CBF90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000155AE7D1F50, 16 bytes long.
Data: <à-}®U > E0 2D 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000155AE7CBF30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000155AE7D2A40, 16 bytes long.
Data: <(-}®U > 28 2D 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000155AE7D2630, 16 bytes long.
Data: < -}®U > 00 2D 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000155AE7D2540, 16 bytes long.
Data: <Ø,}®U > D8 2C 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000155AE7D2220, 16 bytes long.
Data: <°,}®U > B0 2C 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000155AE7D2720, 16 bytes long.
Data: < ,}®U > 88 2C 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000155AE7D2860, 16 bytes long.
Data: <`,}®U > 60 2C 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000155AE7D24A0, 16 bytes long.
Data: <p¤|®U > 70 A4 7C AE 55 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000155AE7CA470, 40 bytes long.
Data: < $}®U  »@°U > A0 24 7D AE 55 01 00 00 A0 BB 40 B0 55 01 00 00
{255} normal block at 0x00000155AE7D21D0, 16 bytes long.
Data: <@,}®U > 40 2C 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000155AE7D2680, 16 bytes long.
Data: < ,}®U > 18 2C 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000155AE7CBDB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000155AE7D1C80, 16 bytes long.
Data: <ð+}®U > F0 2B 7D AE 55 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000155AE7D2BF0, 992 bytes long.
Data: < }®U °½|®U > 80 1C 7D AE 55 01 00 00 B0 BD 7C AE 55 01 00 00
{87} normal block at 0x00000155AE7CC410, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000155AE7C5BF0, 16 bytes long.
Data: <°¢|®U > B0 A2 7C AE 55 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000155AE7CA2B0, 40 bytes long.
Data: <ð[|®U Ä|®U > F0 5B 7C AE 55 01 00 00 10 C4 7C AE 55 01 00 00
{64} normal block at 0x00000155AE7C5830, 16 bytes long.
Data: < ê Êö > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000155AE7C6230, 16 bytes long.
Data: <@é Êö > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000155AE7C57E0, 16 bytes long.
Data: <øW Êö > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000155AE7C5510, 16 bytes long.
Data: <ØW Êö > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000155AE7C5E70, 16 bytes long.
Data: <P Êö > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000155AE7C54C0, 16 bytes long.
Data: <0 Êö > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000155AE7C5790, 16 bytes long.
Data: <à Êö > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000155AE7C6320, 16 bytes long.
Data: < Êö > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000155AE7C6000, 16 bytes long.
Data: <p Êö > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000155AE7C5740, 16 bytes long.
Data: < À‹Êö > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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