Task 38671122

Name test_390-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4595_1
Workunit 31612728
Created 25 Oct 2026, 19:36:03 UTC
Sent 25 Oct 2026, 19:36:10 UTC
Report deadline 30 Oct 2026, 19:36:10 UTC
Received 25 Oct 2026, 20:19:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 14 min 5 sec
CPU time 13 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.35 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:05:06 (29700): wrapper (7.9.26016): starting
21:05:06 (29700): 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
21:05:07 (29700): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:05:07 (29700): 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\6\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\6\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
21:18:39 (29700): C:/Windows/system32/cmd.exe exited; CPU time 807.796875
21:18:39 (29700): 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: 13014411 bytes.
Dumping objects ->
{3835018} normal block at 0x0000018C74C5DBD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x0000018C74C5D850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x0000018C74C5DE00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x0000018C74C5E340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x0000018C72F861F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x0000018C74CA9680, 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) : {3834930} normal block at 0x0000018C72F7D840, 8 bytes long.
 Data: <  4s&#140;   > 00 00 34 73 8C 01 00 00 
{3833961} normal block at 0x0000018C72F7D750, 8 bytes long.
 Data: < Y&#211;t&#140;   > 90 59 D3 74 8C 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018C72F81830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018C72F76150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000018C72F87400, 16 bytes long.
 Data: <&#200;y&#248;r&#140;           > C8 79 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018C72F86D70, 16 bytes long.
 Data: <&#160;y&#248;r&#140;           > A0 79 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018C72F7EE60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000018C72F87180, 16 bytes long.
 Data: <xy&#248;r&#140;           > 78 79 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018C72F867D0, 16 bytes long.
 Data: <Py&#248;r&#140;           > 50 79 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018C72F86780, 16 bytes long.
 Data: <(y&#248;r&#140;           > 28 79 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018C72F87590, 16 bytes long.
 Data: < y&#248;r&#140;           > 00 79 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018C72F85F50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000018C72F87630, 16 bytes long.
 Data: <&#248; &#247;r&#140;           > F8 90 F7 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018C72F7F040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000018C72F86E10, 16 bytes long.
 Data: <&#208; &#247;r&#140;           > D0 90 F7 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018C72F87130, 16 bytes long.
 Data: <&#168; &#247;r&#140;           > A8 90 F7 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018C72F870E0, 16 bytes long.
 Data: <  &#247;r&#140;           > 80 90 F7 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018C72F87090, 16 bytes long.
 Data: <X &#247;r&#140;           > 58 90 F7 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018C72F875E0, 16 bytes long.
 Data: <0 &#247;r&#140;           > 30 90 F7 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018C72F86AF0, 16 bytes long.
 Data: <  &#247;r&#140;           > 08 90 F7 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018C72F7ED40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000018C72F86D20, 16 bytes long.
 Data: <&#224;&#143;&#247;r&#140;           > E0 8F F7 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018C72F78FE0, 320 bytes long.
 Data: < m&#248;r&#140;   @&#237;&#247;r&#140;   > 20 6D F8 72 8C 01 00 00 40 ED F7 72 8C 01 00 00 
{276} normal block at 0x0000018C72F86730, 16 bytes long.
 Data: <&#224;x&#248;r&#140;           > E0 78 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018C72F86910, 16 bytes long.
 Data: <&#184;x&#248;r&#140;           > B8 78 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018C72F7F760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000018C72F86F00, 16 bytes long.
 Data: < x&#248;r&#140;           > 90 78 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018C72F7F2E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000018C72F87540, 16 bytes long.
 Data: <&#216;w&#248;r&#140;           > D8 77 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018C72F86C80, 16 bytes long.
 Data: <&#176;w&#248;r&#140;           > B0 77 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018C72F86DC0, 16 bytes long.
 Data: < w&#248;r&#140;           > 88 77 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018C72F868C0, 16 bytes long.
 Data: <`w&#248;r&#140;           > 60 77 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018C72F86960, 16 bytes long.
 Data: <8w&#248;r&#140;           > 38 77 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018C72F866E0, 16 bytes long.
 Data: < w&#248;r&#140;           > 10 77 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018C72F86EB0, 16 bytes long.
 Data: <@\&#248;r&#140;           > 40 5C F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018C72F85C40, 40 bytes long.
 Data: <&#176;n&#248;r&#140;    &#150;&#202;t&#140;   > B0 6E F8 72 8C 01 00 00 80 96 CA 74 8C 01 00 00 
{262} normal block at 0x0000018C72F86A00, 16 bytes long.
 Data: <&#240;v&#248;r&#140;           > F0 76 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018C72F874F0, 16 bytes long.
 Data: <&#200;v&#248;r&#140;           > C8 76 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018C72F7EF80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000018C72F87040, 16 bytes long.
 Data: <&#160;v&#248;r&#140;           > A0 76 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018C72F876A0, 992 bytes long.
 Data: <@p&#248;r&#140;    &#239;&#247;r&#140;   > 40 70 F8 72 8C 01 00 00 80 EF F7 72 8C 01 00 00 
{94} normal block at 0x0000018C72F7F880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000018C72F7D7F0, 16 bytes long.
 Data: <0`&#248;r&#140;           > 30 60 F8 72 8C 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000018C72F86030, 40 bytes long.
 Data: <&#240;&#215;&#247;r&#140;    &#248;&#247;r&#140;   > F0 D7 F7 72 8C 01 00 00 80 F8 F7 72 8C 01 00 00 
{71} normal block at 0x0000018C72F7DDE0, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018C72F7D570, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018C72F7DF20, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018C72F7DE80, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018C72F7DC00, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018C72F7D7A0, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018C72F7DA70, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018C72F7E0B0, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018C72F7DA20, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018C72F7DED0, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra