Task 38673275
| Name | test_512-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7473_0 |
| Workunit | 31615367 |
| Created | 26 Oct 2026, 2:01:31 UTC |
| Sent | 26 Oct 2026, 2:01:35 UTC |
| Report deadline | 31 Oct 2026, 2:01:35 UTC |
| Received | 26 Oct 2026, 3:08:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638094 |
| Run time | 21 min 41 sec |
| CPU time | 20 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 41,014.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.39 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
13:47:23 (5896): wrapper (7.9.26016): starting
13:47:23 (5896): 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
13:47:24 (5896): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:47:24 (5896): 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
14:08:14 (5896): C:/Windows/system32/cmd.exe exited; CPU time 1202.390625
14:08:14 (5896): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22968511 bytes.
Dumping objects ->
{3835652} normal block at 0x00000220ED75C970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835641} normal block at 0x00000220ED75D380, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835630} normal block at 0x00000220EBA049B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835619} normal block at 0x00000220EBA04940, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835608} normal block at 0x00000220EBA047F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835577} normal block at 0x00000220ED7A45A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835566} normal block at 0x00000220ED7BEF50, 102 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) : {3835563} normal block at 0x00000220EB9FF1C0, 8 bytes long.
Data: < ë > 00 00 9D EB 20 02 00 00
{3834735} normal block at 0x00000220ED7BE5B0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x00000220EB9FFA30, 8 bytes long.
Data: < @ ë > A0 40 A0 EB 20 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000220EBA00F40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000220EB9F63F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000220EBA05850, 16 bytes long.
Data: <Èg ë > C8 67 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000220EBA05580, 16 bytes long.
Data: < g ë > A0 67 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000220EB9FDFB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000220EBA055D0, 16 bytes long.
Data: <xg ë > 78 67 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000220EBA05670, 16 bytes long.
Data: <Pg ë > 50 67 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000220EBA05E40, 16 bytes long.
Data: <(g ë > 28 67 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000220EBA05EE0, 16 bytes long.
Data: < g ë > 00 67 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000220EBA04A90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000220EBA05E90, 16 bytes long.
Data: <xS ë > 78 53 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000220EB9FDE30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000220EBA06020, 16 bytes long.
Data: <PS ë > 50 53 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000220EBA06070, 16 bytes long.
Data: <(S ë > 28 53 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000220EBA05800, 16 bytes long.
Data: < S ë > 00 53 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000220EBA054E0, 16 bytes long.
Data: <ØR ë > D8 52 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000220EBA05B70, 16 bytes long.
Data: <°R ë > B0 52 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000220EBA060C0, 16 bytes long.
Data: < R ë > 88 52 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000220EB9FD530, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000220EBA05CB0, 16 bytes long.
Data: <`R ë > 60 52 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000220EBA05260, 320 bytes long.
Data: <°\ ë 0ÕŸë > B0 5C A0 EB 20 02 00 00 30 D5 9F EB 20 02 00 00
{281} normal block at 0x00000220EBA057B0, 16 bytes long.
Data: <àf ë > E0 66 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000220EBA05530, 16 bytes long.
Data: <¸f ë > B8 66 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000220EB9FD4D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000220EBA05F80, 16 bytes long.
Data: < f ë > 90 66 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000220EB9FD890, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000220EBA05DF0, 16 bytes long.
Data: <Øe ë > D8 65 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000220EBA05F30, 16 bytes long.
Data: <°e ë > B0 65 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000220EBA062A0, 16 bytes long.
Data: < e ë > 88 65 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000220EBA05620, 16 bytes long.
Data: <`e ë > 60 65 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000220EBA05A80, 16 bytes long.
Data: <8e ë > 38 65 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000220EBA05940, 16 bytes long.
Data: < e ë > 10 65 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000220EBA058F0, 16 bytes long.
Data: <àK ë > E0 4B A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000220EBA04BE0, 40 bytes long.
Data: <ðX ë  Ezí > F0 58 A0 EB 20 02 00 00 A0 45 7A ED 20 02 00 00
{267} normal block at 0x00000220EBA05C60, 16 bytes long.
Data: <ðd ë > F0 64 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000220EBA05AD0, 16 bytes long.
Data: <Èd ë > C8 64 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000220EB9FDD10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000220EBA058A0, 16 bytes long.
Data: < d ë > A0 64 A0 EB 20 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000220EBA064A0, 992 bytes long.
Data: < X ë ÝŸë > A0 58 A0 EB 20 02 00 00 10 DD 9F EB 20 02 00 00
{99} normal block at 0x00000220EB9FE010, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000220EB9FEF90, 16 bytes long.
Data: <ðçžë > F0 E7 9E EB 20 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000220EB9EE7F0, 40 bytes long.
Data: < ïŸë àŸë > 90 EF 9F EB 20 02 00 00 10 E0 9F EB 20 02 00 00
{76} normal block at 0x00000220EB9FF7B0, 16 bytes long.
Data: < ê ÷ > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000220EB9FEC70, 16 bytes long.
Data: <@é ÷ > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000220EB9FF3F0, 16 bytes long.
Data: <øW ÷ > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000220EB9FF170, 16 bytes long.
Data: <ØW ÷ > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000220EB9FF210, 16 bytes long.
Data: <P ÷ > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000220EB9FEEF0, 16 bytes long.
Data: <0 ÷ > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000220EB9FEDB0, 16 bytes long.
Data: <à ÷ > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000220EB9FF8F0, 16 bytes long.
Data: < ÷ > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000220EB9FF5D0, 16 bytes long.
Data: <p ÷ > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000220EB9FF710, 16 bytes long.
Data: < À ÷ > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra