Task 38682140

Name test_251-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8186_0
Workunit 31623770
Created 27 Oct 2026, 6:42:10 UTC
Sent 27 Oct 2026, 6:42:17 UTC
Report deadline 1 Nov 2026, 6:42:17 UTC
Received 27 Oct 2026, 7:05:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 21 min 33 sec
CPU time 20 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.77 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:43:33 (52996): wrapper (7.9.26016): starting
23:43:33 (52996): 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
23:43:34 (52996): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:43:34 (52996): 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
00:04:14 (52996): C:/Windows/system32/cmd.exe exited; CPU time 1211.000000
00:04:14 (52996): 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: 23255047 bytes.
Dumping objects ->
{3835219} normal block at 0x0000020267C66F90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000020267C66EB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000020267C66D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000020267C66CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000020267C66E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000020269A57010, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000020267CB21E0, 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) : {3835130} normal block at 0x0000020267C5FAE0, 8 bytes long.
 Data: <   h    > 00 00 11 68 02 02 00 00 
{3834533} normal block at 0x0000020267CB0D90, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000020267C5F950, 8 bytes long.
 Data: <&#192;&#234;&#211;g    > C0 EA D3 67 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020267C63D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020267C586C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000020267C67E70, 16 bytes long.
 Data: < &#135;&#198;g            > 08 87 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020267C67420, 16 bytes long.
 Data: <&#224;&#134;&#198;g            > E0 86 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020267C610F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000020267C682D0, 16 bytes long.
 Data: <&#184;&#134;&#198;g            > B8 86 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020267C67AB0, 16 bytes long.
 Data: < &#134;&#198;g            > 90 86 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020267C67A60, 16 bytes long.
 Data: <h&#134;&#198;g            > 68 86 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020267C676F0, 16 bytes long.
 Data: <@&#134;&#198;g            > 40 86 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020267C66DD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000020267C67740, 16 bytes long.
 Data: <x &#198;g            > 78 0B C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020267C613F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000020267C67BF0, 16 bytes long.
 Data: <P &#198;g            > 50 0B C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020267C67C90, 16 bytes long.
 Data: <( &#198;g            > 28 0B C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020267C67A10, 16 bytes long.
 Data: <  &#198;g            > 00 0B C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020267C67BA0, 16 bytes long.
 Data: <&#216; &#198;g            > D8 0A C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020267C67B00, 16 bytes long.
 Data: <&#176; &#198;g            > B0 0A C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020267C675B0, 16 bytes long.
 Data: <  &#198;g            > 88 0A C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020267C61510, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000020267C68000, 16 bytes long.
 Data: <` &#198;g            > 60 0A C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020267C60A60, 320 bytes long.
 Data: <  &#198;g      &#198;g    > 00 80 C6 67 02 02 00 00 10 15 C6 67 02 02 00 00 
{271} normal block at 0x0000020267C68230, 16 bytes long.
 Data: < &#134;&#198;g            > 20 86 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020267C67D80, 16 bytes long.
 Data: <&#248;&#133;&#198;g            > F8 85 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020267C615D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000020267C67880, 16 bytes long.
 Data: <&#208;&#133;&#198;g            > D0 85 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020267C61210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000020267C68370, 16 bytes long.
 Data: < &#133;&#198;g            > 18 85 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020267C681E0, 16 bytes long.
 Data: <&#240;&#132;&#198;g            > F0 84 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020267C67970, 16 bytes long.
 Data: <&#200;&#132;&#198;g            > C8 84 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020267C67830, 16 bytes long.
 Data: <&#160;&#132;&#198;g            > A0 84 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020267C68190, 16 bytes long.
 Data: <x&#132;&#198;g            > 78 84 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020267C67B50, 16 bytes long.
 Data: <P&#132;&#198;g            > 50 84 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020267C680F0, 16 bytes long.
 Data: <Pq&#198;g            > 50 71 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020267C67150, 40 bytes long.
 Data: <&#240; &#198;g     p&#165;i    > F0 80 C6 67 02 02 00 00 10 70 A5 69 02 02 00 00 
{257} normal block at 0x0000020267C67600, 16 bytes long.
 Data: <0&#132;&#198;g            > 30 84 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020267C676A0, 16 bytes long.
 Data: < &#132;&#198;g            > 08 84 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020267C61C30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000020267C679C0, 16 bytes long.
 Data: <&#224;&#131;&#198;g            > E0 83 C6 67 02 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020267C683E0, 992 bytes long.
 Data: <&#192;y&#198;g    0 &#198;g    > C0 79 C6 67 02 02 00 00 30 1C C6 67 02 02 00 00 
{89} normal block at 0x0000020267C61570, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000020267C60170, 16 bytes long.
 Data: <&#160;&#196;&#196;g            > A0 C4 C4 67 02 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000020267C4C4A0, 40 bytes long.
 Data: <p &#198;g    p &#198;g    > 70 01 C6 67 02 02 00 00 70 15 C6 67 02 02 00 00 
{66} normal block at 0x0000020267C5F450, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020267C5F900, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020267C5FC20, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020267C5FA90, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020267C5F590, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020267C5F7C0, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020267C5FC70, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020267C5F400, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020267C5F270, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020267C5FB30, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra