Task 38673431
| Name | test_818-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND3842_1 |
| Workunit | 31615492 |
| Created | 26 Oct 2026, 2:22:38 UTC |
| Sent | 26 Oct 2026, 2:22:53 UTC |
| Report deadline | 31 Oct 2026, 2:22:53 UTC |
| Received | 26 Oct 2026, 5:34:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637325 |
| Run time | 1 hours 7 min 18 sec |
| CPU time | 1 hours 2 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,571.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 880.92 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:28:48 (3700): wrapper (7.9.26016): starting
06:28:48 (3700): 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
06:28:50 (3700): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:28:50 (3700): 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\4\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\4\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
07:34:24 (3700): C:/Windows/system32/cmd.exe exited; CPU time 3754.265625
07:34:24 (3700): 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: 47024265 bytes.
Dumping objects ->
{3835194} normal block at 0x00000212FD930F40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x00000212FD930A70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x00000212FD9308B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835161} normal block at 0x00000212FD931020, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x00000212FD9316B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835119} normal block at 0x00000212FDA23360, 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) : {3835106} normal block at 0x00000212FBEE57E0, 8 bytes long.
Data: < èû > 00 00 E8 FB 12 02 00 00
{3833949} normal block at 0x00000212FBEE5CE0, 8 bytes long.
Data: < ¨ý > 90 1F A8 FD 12 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000212FBEF0C10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000212FBED5CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000212FBEF2010, 16 bytes long.
Data: < -ïû > 08 2D EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000212FBEF1FC0, 16 bytes long.
Data: <à,ïû > E0 2C EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000212FBEEC050, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000212FBEF23D0, 16 bytes long.
Data: <¸,ïû > B8 2C EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000212FBEF1C50, 16 bytes long.
Data: < ,ïû > 90 2C EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000212FBEF1ED0, 16 bytes long.
Data: <h,ïû > 68 2C EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000212FBEF1E30, 16 bytes long.
Data: <@,ïû > 40 2C EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000212FBEEA110, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000212FBEF25B0, 16 bytes long.
Data: < \íû > 88 5C ED FB 12 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000212FBEEB810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000212FBEF1BB0, 16 bytes long.
Data: <`\íû > 60 5C ED FB 12 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000212FBEF1DE0, 16 bytes long.
Data: <8\íû > 38 5C ED FB 12 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000212FBEF1B60, 16 bytes long.
Data: < \íû > 10 5C ED FB 12 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000212FBEF1B10, 16 bytes long.
Data: <è[íû > E8 5B ED FB 12 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000212FBEF1E80, 16 bytes long.
Data: <À[íû > C0 5B ED FB 12 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000212FBEF2880, 16 bytes long.
Data: < [íû > 98 5B ED FB 12 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000212FBEEBBD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000212FBEF1F70, 16 bytes long.
Data: <p[íû > 70 5B ED FB 12 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000212FBED5B70, 320 bytes long.
Data: <p ïû лîû > 70 1F EF FB 12 02 00 00 D0 BB EE FB 12 02 00 00
{270} normal block at 0x00000212FBEF2290, 16 bytes long.
Data: < ,ïû > 20 2C EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000212FBEF27E0, 16 bytes long.
Data: <ø+ïû > F8 2B EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000212FBEEC470, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000212FBEF1D90, 16 bytes long.
Data: <Ð+ïû > D0 2B EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000212FBEEBA50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000212FBEF1D40, 16 bytes long.
Data: < +ïû > 18 2B EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000212FBEF26F0, 16 bytes long.
Data: <ð*ïû > F0 2A EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000212FBEF24C0, 16 bytes long.
Data: <È*ïû > C8 2A EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000212FBEF2510, 16 bytes long.
Data: < *ïû > A0 2A EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000212FBEF2650, 16 bytes long.
Data: <x*ïû > 78 2A EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000212FBEF2560, 16 bytes long.
Data: <P*ïû > 50 2A EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000212FBEF1CA0, 16 bytes long.
Data: <p¥îû > 70 A5 EE FB 12 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000212FBEEA570, 40 bytes long.
Data: <  ïû `3¢ý > A0 1C EF FB 12 02 00 00 60 33 A2 FD 12 02 00 00
{256} normal block at 0x00000212FBEF2100, 16 bytes long.
Data: <0*ïû > 30 2A EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000212FBEF1AC0, 16 bytes long.
Data: < *ïû > 08 2A EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000212FBEEBC30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000212FBEF1A70, 16 bytes long.
Data: <à)ïû > E0 29 EF FB 12 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000212FBEF29E0, 992 bytes long.
Data: <p ïû 0¼îû > 70 1A EF FB 12 02 00 00 30 BC EE FB 12 02 00 00
{88} normal block at 0x00000212FBEEB990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000212FBEE6280, 16 bytes long.
Data: < ¤îû > 90 A4 EE FB 12 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000212FBEEA490, 40 bytes long.
Data: < bîû ¹îû > 80 62 EE FB 12 02 00 00 90 B9 EE FB 12 02 00 00
{65} normal block at 0x00000212FBEE5C90, 16 bytes long.
Data: < êÀj÷ > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000212FBEE6000, 16 bytes long.
Data: <@éÀj÷ > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000212FBEE5830, 16 bytes long.
Data: <øW½j÷ > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000212FBEE62D0, 16 bytes long.
Data: <ØW½j÷ > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000212FBEE61E0, 16 bytes long.
Data: <P ½j÷ > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000212FBEE5A10, 16 bytes long.
Data: <0 ½j÷ > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000212FBEE5FB0, 16 bytes long.
Data: <à ½j÷ > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000212FBEE6140, 16 bytes long.
Data: < ½j÷ > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000212FBEE5F10, 16 bytes long.
Data: <p ½j÷ > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000212FBEE5970, 16 bytes long.
Data: < À»j÷ > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra