Task 38677030

Name test_576-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2796_0
Workunit 31618916
Created 26 Oct 2026, 13:03:07 UTC
Sent 26 Oct 2026, 13:03:12 UTC
Report deadline 31 Oct 2026, 13:03:12 UTC
Received 26 Oct 2026, 13:26:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 22 min 49 sec
CPU time 20 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 765.25 MB
Peak swap size 13.06 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:04:42 (67896): wrapper (7.9.26016): starting
08:04:42 (67896): 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
08:04:45 (67896): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:04:45 (67896): 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\30\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\30\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
08:26:11 (67896): C:/Windows/system32/cmd.exe exited; CPU time 1259.046875
08:26:11 (67896): 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: 37385445 bytes.
Dumping objects ->
{3835311} normal block at 0x000001763901A780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001763901ABE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001763901AA20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001763901AD30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001763901B120, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x0000017638FBD480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001763901EB40, 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) : {3835222} normal block at 0x00000176372FE5D0, 8 bytes long.
 Data: <  )7v   > 00 00 29 37 76 01 00 00 
{3834575} normal block at 0x000001763901E930, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000176372FEC10, 8 bytes long.
 Data: <P&#235;=7v   > 50 EB 3D 37 76 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000176372F6B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000176372F7B80, 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 0x0000017637305E50, 16 bytes long.
 Data: <&#216;Z07v           > D8 5A 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017637306210, 16 bytes long.
 Data: <&#176;Z07v           > B0 5A 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000176373006A0, 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 0x0000017637306B20, 16 bytes long.
 Data: < Z07v           > 88 5A 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017637306760, 16 bytes long.
 Data: <`Z07v           > 60 5A 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017637306710, 16 bytes long.
 Data: <8Z07v           > 38 5A 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000176373068F0, 16 bytes long.
 Data: < Z07v           > 10 5A 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017637303F30, 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 0x0000017637306170, 16 bytes long.
 Data: <&#216;&#163;/7v           > D8 A3 2F 37 76 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000176373003A0, 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 0x0000017637306850, 16 bytes long.
 Data: <&#176;&#163;/7v           > B0 A3 2F 37 76 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017637305E00, 16 bytes long.
 Data: < &#163;/7v           > 88 A3 2F 37 76 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000176373066C0, 16 bytes long.
 Data: <`&#163;/7v           > 60 A3 2F 37 76 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017637306800, 16 bytes long.
 Data: <8&#163;/7v           > 38 A3 2F 37 76 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000176373068A0, 16 bytes long.
 Data: < &#163;/7v           > 10 A3 2F 37 76 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017637305F90, 16 bytes long.
 Data: <&#232;&#162;/7v           > E8 A2 2F 37 76 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017637300AC0, 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 0x00000176373063F0, 16 bytes long.
 Data: <&#192;&#162;/7v           > C0 A2 2F 37 76 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000176372FA2C0, 320 bytes long.
 Data: <&#240;c07v   &#192; 07v   > F0 63 30 37 76 01 00 00 C0 0A 30 37 76 01 00 00 
{276} normal block at 0x0000017637305F40, 16 bytes long.
 Data: <&#240;Y07v           > F0 59 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017637305EF0, 16 bytes long.
 Data: <&#200;Y07v           > C8 59 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017637300A00, 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 0x0000017637306670, 16 bytes long.
 Data: <&#160;Y07v           > A0 59 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017637300C40, 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 0x0000017637305C70, 16 bytes long.
 Data: <&#232;X07v           > E8 58 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000176373062B0, 16 bytes long.
 Data: <&#192;X07v           > C0 58 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017637306A30, 16 bytes long.
 Data: < X07v           > 98 58 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017637306A80, 16 bytes long.
 Data: <pX07v           > 70 58 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017637306AD0, 16 bytes long.
 Data: <HX07v           > 48 58 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000176372FEEE0, 16 bytes long.
 Data: < X07v           > 20 58 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000176372FEB20, 16 bytes long.
 Data: < =07v           > 00 3D 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017637303D00, 40 bytes long.
 Data: < &#235;/7v    &#212;&#251;8v   > 20 EB 2F 37 76 01 00 00 80 D4 FB 38 76 01 00 00 
{262} normal block at 0x00000176372FEAD0, 16 bytes long.
 Data: < X07v           > 00 58 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000176372FEA80, 16 bytes long.
 Data: <&#216;W07v           > D8 57 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000176372FFF20, 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 0x00000176372FF480, 16 bytes long.
 Data: <&#176;W07v           > B0 57 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000176373057B0, 992 bytes long.
 Data: < &#244;/7v    &#255;/7v   > 80 F4 2F 37 76 01 00 00 20 FF 2F 37 76 01 00 00 
{94} normal block at 0x0000017637300520, 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 0x00000176372FE8A0, 16 bytes long.
 Data: <&#160;?07v           > A0 3F 30 37 76 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000017637303FA0, 40 bytes long.
 Data: <&#160;&#232;/7v     07v   > A0 E8 2F 37 76 01 00 00 20 05 30 37 76 01 00 00 
{71} normal block at 0x00000176372FEC60, 16 bytes long.
 Data: < &#234;/T&#246;           > 80 EA 2F 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000176372FF3E0, 16 bytes long.
 Data: <@&#233;/T&#246;           > 40 E9 2F 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000176372FF430, 16 bytes long.
 Data: <&#248;W,T&#246;           > F8 57 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000176372FE580, 16 bytes long.
 Data: <&#216;W,T&#246;           > D8 57 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000176372FF0C0, 16 bytes long.
 Data: <P ,T&#246;           > 50 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000176372FECB0, 16 bytes long.
 Data: <0 ,T&#246;           > 30 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000176372FF070, 16 bytes long.
 Data: <&#224; ,T&#246;           > E0 02 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000176372FE530, 16 bytes long.
 Data: <  ,T&#246;           > 10 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000176372FE800, 16 bytes long.
 Data: <p ,T&#246;           > 70 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000176372FF200, 16 bytes long.
 Data: < &#192;*T&#246;           > 18 C0 2A 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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