Task 38686170

Name test_867-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9846_1
Workunit 31627588
Created 28 Oct 2026, 1:04:50 UTC
Sent 28 Oct 2026, 1:04:55 UTC
Report deadline 2 Nov 2026, 1:04:55 UTC
Received 28 Oct 2026, 1:37:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 32 min 5 sec
CPU time 30 min 25 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 744.64 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:05:41 (29572): wrapper (7.9.26016): starting
20:05:41 (29572): 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
20:05:43 (29572): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:05:43 (29572): 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
20:37:19 (29572): C:/Windows/system32/cmd.exe exited; CPU time 1825.796875
20:37:19 (29572): 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: 26220387 bytes.
Dumping objects ->
{3835546} normal block at 0x0000021C723F7AC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000021C70664520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000021C70664BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000021C70664B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000021C706649F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000021C72403A00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000021C7241E300, 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) : {3835457} normal block at 0x0000021C7065F060, 8 bytes long.
 Data: <  bp    > 00 00 62 70 1C 02 00 00 
{3834682} normal block at 0x0000021C7241E040, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000021C7065F010, 8 bytes long.
 Data: < FFr    > 10 46 46 72 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021C70660BD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021C70656700, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000021C70665FC0, 16 bytes long.
 Data: <&#168;cfp            > A8 63 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021C70665570, 16 bytes long.
 Data: < cfp            > 80 63 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021C7065FF40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000021C70665F70, 16 bytes long.
 Data: <Xcfp            > 58 63 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021C706658E0, 16 bytes long.
 Data: <0cfp            > 30 63 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021C70665200, 16 bytes long.
 Data: < cfp            > 08 63 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021C70665B10, 16 bytes long.
 Data: <&#224;bfp            > E0 62 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021C70664AD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000021C70665F20, 16 bytes long.
 Data: <X ep            > 58 8F 65 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021C7065FAC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000021C70665ED0, 16 bytes long.
 Data: <0 ep            > 30 8F 65 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021C70665E80, 16 bytes long.
 Data: <  ep            > 08 8F 65 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021C70665520, 16 bytes long.
 Data: <&#224;&#142;ep            > E0 8E 65 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021C70665CF0, 16 bytes long.
 Data: <&#184;&#142;ep            > B8 8E 65 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021C70665700, 16 bytes long.
 Data: < &#142;ep            > 90 8E 65 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021C70665AC0, 16 bytes long.
 Data: <h&#142;ep            > 68 8E 65 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021C7065FEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000021C706656B0, 16 bytes long.
 Data: <@&#142;ep            > 40 8E 65 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021C70658E40, 320 bytes long.
 Data: <&#176;Vfp    &#224;&#254;ep    > B0 56 66 70 1C 02 00 00 E0 FE 65 70 1C 02 00 00 
{274} normal block at 0x0000021C706652A0, 16 bytes long.
 Data: <&#192;bfp            > C0 62 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021C70665CA0, 16 bytes long.
 Data: < bfp            > 98 62 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021C7065F6A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000021C70665E30, 16 bytes long.
 Data: <pbfp            > 70 62 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021C70660240, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000021C70665250, 16 bytes long.
 Data: <&#184;afp            > B8 61 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021C70665DE0, 16 bytes long.
 Data: < afp            > 90 61 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021C70665A20, 16 bytes long.
 Data: <hafp            > 68 61 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021C706653E0, 16 bytes long.
 Data: <@afp            > 40 61 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021C70665610, 16 bytes long.
 Data: < afp            > 18 61 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021C70665C00, 16 bytes long.
 Data: <&#240;`fp            > F0 60 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021C70665480, 16 bytes long.
 Data: < Ifp            > 10 49 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021C70664910, 40 bytes long.
 Data: < Tfp     :@r    > 80 54 66 70 1C 02 00 00 00 3A 40 72 1C 02 00 00 
{260} normal block at 0x0000021C70665D90, 16 bytes long.
 Data: <&#208;`fp            > D0 60 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021C70665890, 16 bytes long.
 Data: <&#168;`fp            > A8 60 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021C7065F7C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000021C70665A70, 16 bytes long.
 Data: < `fp            > 80 60 66 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021C70666080, 992 bytes long.
 Data: <pZfp    &#192;&#247;ep    > 70 5A 66 70 1C 02 00 00 C0 F7 65 70 1C 02 00 00 
{92} normal block at 0x0000021C7065F940, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000021C7065F1F0, 16 bytes long.
 Data: < &#193;dp            > 80 C1 64 70 1C 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021C7064C180, 40 bytes long.
 Data: <&#240;&#241;ep    @&#249;ep    > F0 F1 65 70 1C 02 00 00 40 F9 65 70 1C 02 00 00 
{69} normal block at 0x0000021C7065F380, 16 bytes long.
 Data: < &#234;&#159;&#186;&#246;           > 80 EA 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021C7065E980, 16 bytes long.
 Data: <@&#233;&#159;&#186;&#246;           > 40 E9 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021C7065F240, 16 bytes long.
 Data: <&#248;W&#156;&#186;&#246;           > F8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021C7065F0B0, 16 bytes long.
 Data: <&#216;W&#156;&#186;&#246;           > D8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021C7065EFC0, 16 bytes long.
 Data: <P &#156;&#186;&#246;           > 50 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021C7065EF20, 16 bytes long.
 Data: <0 &#156;&#186;&#246;           > 30 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021C7065E8E0, 16 bytes long.
 Data: <&#224; &#156;&#186;&#246;           > E0 02 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021C7065EF70, 16 bytes long.
 Data: <  &#156;&#186;&#246;           > 10 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021C7065E890, 16 bytes long.
 Data: <p &#156;&#186;&#246;           > 70 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021C7065EED0, 16 bytes long.
 Data: < &#192;&#154;&#186;&#246;           > 18 C0 9A BA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra