Task 38659654

Name test_345-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND9543_0
Workunit 31603196
Created 24 Oct 2026, 13:32:47 UTC
Sent 24 Oct 2026, 14:05:08 UTC
Report deadline 29 Oct 2026, 14:05:08 UTC
Received 24 Oct 2026, 15:04:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 57 min 20 sec
CPU time 57 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.50 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
16:11:31 (14380): wrapper (7.9.26016): starting
16:11:31 (14380): 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
16:11:33 (14380): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:11:33 (14380): 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\183\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\183\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
17:04:26 (14380): C:/Windows/system32/cmd.exe exited; CPU time 3440.093750
17:04:26 (14380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 86730327 bytes.
Dumping objects ->
{3835226} normal block at 0x000002994B599FD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002994B59A660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000002994B59A7B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000002994B59A6D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000002994B59AA50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000002994D365C80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000002994B5D8360, 140 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) : {3835137} normal block at 0x000002994B573F30, 8 bytes long.
 Data: <  RK    > 00 00 52 4B 99 02 00 00 
{3834534} normal block at 0x000002994B5D79A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002994B573E90, 8 bytes long.
 Data: <PrWK    > 50 72 57 4B 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002994B55BE30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002994B55D6E0, 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 0x000002994B574480, 16 bytes long.
 Data: < zWK            > 18 7A 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002994B5744D0, 16 bytes long.
 Data: <&#240;yWK            > F0 79 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002994B569780, 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 0x000002994B5743E0, 16 bytes long.
 Data: <&#200;yWK            > C8 79 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002994B574390, 16 bytes long.
 Data: <&#160;yWK            > A0 79 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002994B574070, 16 bytes long.
 Data: <xyWK            > 78 79 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002994B574020, 16 bytes long.
 Data: <PyWK            > 50 79 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002994B5729F0, 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 0x000002994B574340, 16 bytes long.
 Data: <x&#214;UK            > 78 D6 55 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002994B568E20, 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 0x000002994B573F80, 16 bytes long.
 Data: <P&#214;UK            > 50 D6 55 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002994B574250, 16 bytes long.
 Data: <(&#214;UK            > 28 D6 55 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002994B573EE0, 16 bytes long.
 Data: < &#214;UK            > 00 D6 55 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002994B5749D0, 16 bytes long.
 Data: <&#216;&#213;UK            > D8 D5 55 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002994B574980, 16 bytes long.
 Data: <&#176;&#213;UK            > B0 D5 55 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002994B574160, 16 bytes long.
 Data: < &#213;UK            > 88 D5 55 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002994B569CC0, 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 0x000002994B574930, 16 bytes long.
 Data: <`&#213;UK            > 60 D5 55 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002994B55D560, 320 bytes long.
 Data: <0IWK    &#192;&#156;VK    > 30 49 57 4B 99 02 00 00 C0 9C 56 4B 99 02 00 00 
{270} normal block at 0x000002994B574110, 16 bytes long.
 Data: <0yWK            > 30 79 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002994B574BB0, 16 bytes long.
 Data: < yWK            > 08 79 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002994B569840, 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 0x000002994B574750, 16 bytes long.
 Data: <&#224;xWK            > E0 78 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002994B569C00, 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 0x000002994B574890, 16 bytes long.
 Data: <(xWK            > 28 78 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002994B573D00, 16 bytes long.
 Data: < xWK            > 00 78 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002994B573DA0, 16 bytes long.
 Data: <&#216;wWK            > D8 77 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002994B574C50, 16 bytes long.
 Data: <&#176;wWK            > B0 77 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002994B574840, 16 bytes long.
 Data: < wWK            > 88 77 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002994B574B10, 16 bytes long.
 Data: <`wWK            > 60 77 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002994B5741B0, 16 bytes long.
 Data: < )WK            > 80 29 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002994B572980, 40 bytes long.
 Data: <&#176;AWK     \6M    > B0 41 57 4B 99 02 00 00 80 5C 36 4D 99 02 00 00 
{256} normal block at 0x000002994B573DF0, 16 bytes long.
 Data: <@wWK            > 40 77 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002994B574570, 16 bytes long.
 Data: < wWK            > 18 77 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002994B569A20, 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 0x000002994B573FD0, 16 bytes long.
 Data: <&#240;vWK            > F0 76 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002994B5776F0, 992 bytes long.
 Data: <&#208;?WK     &#154;VK    > D0 3F 57 4B 99 02 00 00 20 9A 56 4B 99 02 00 00 
{88} normal block at 0x000002994B5695A0, 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 0x000002994B574200, 16 bytes long.
 Data: <&#176;+WK            > B0 2B 57 4B 99 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002994B572BB0, 40 bytes long.
 Data: < BWK    &#160;&#149;VK    > 00 42 57 4B 99 02 00 00 A0 95 56 4B 99 02 00 00 
{65} normal block at 0x000002994B568B60, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002994B5688E0, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002994B5689D0, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002994B5687F0, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002994B568520, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002994B5681B0, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002994B568610, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002994B567EE0, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002994B567D50, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002994B568980, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra