Task 38674413

Name test_0-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6774_0
Workunit 31616451
Created 26 Oct 2026, 5:13:16 UTC
Sent 26 Oct 2026, 5:13:22 UTC
Report deadline 31 Oct 2026, 5:13:22 UTC
Received 26 Oct 2026, 11:28:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654383
Run time 4 hours 25 min 14 sec
CPU time 3 hours 23 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,147.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.06 MB
Peak swap size 5.33 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:10:00 (41280): wrapper (7.9.26016): starting
02:10:07 (41280): 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
02:11:08 (41280): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:11:17 (41280): 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\12\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\12\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
07:24:57 (41280): C:/Windows/system32/cmd.exe exited; CPU time 12238.843750
07:25:18 (41280): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 71327861 bytes.
Dumping objects ->
{3836064} normal block at 0x00000210134B0E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836053} normal block at 0x00000210134B0990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836042} normal block at 0x00000210134B1020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3836031} normal block at 0x00000210134B0D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836020} normal block at 0x00000210134B1410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835989} normal block at 0x00000210135A7090, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835978} normal block at 0x0000021011830450, 141 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) : {3835974} normal block at 0x00000210117CE900, 8 bytes long.
 Data: <  &#208;     > 00 00 D0 11 10 02 00 00 
{3834942} normal block at 0x0000021011830380, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833981} normal block at 0x00000210117CE5E0, 8 bytes long.
 Data: <&#224; N     > E0 10 4E 13 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x00000210117D1F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000210117C6D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{306} normal block at 0x00000210117D8A30, 16 bytes long.
 Data: < &#149;}             > 98 95 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000210117D8300, 16 bytes long.
 Data: <p&#149;}             > 70 95 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000210117D10A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{303} normal block at 0x00000210117D8FD0, 16 bytes long.
 Data: <H&#149;}             > 48 95 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000210117D8990, 16 bytes long.
 Data: < &#149;}             > 20 95 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000210117D87B0, 16 bytes long.
 Data: <&#248;&#148;}             > F8 94 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000210117D8DA0, 16 bytes long.
 Data: <&#208;&#148;}             > D0 94 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000210117D08F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{298} normal block at 0x00000210117D8760, 16 bytes long.
 Data: <&#248;&#251;{             > F8 FB 7B 11 10 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000210117D1280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{296} normal block at 0x00000210117D8670, 16 bytes long.
 Data: <&#208;&#251;{             > D0 FB 7B 11 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000210117D85D0, 16 bytes long.
 Data: <&#168;&#251;{             > A8 FB 7B 11 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000210117D8940, 16 bytes long.
 Data: < &#251;{             > 80 FB 7B 11 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000210117D8850, 16 bytes long.
 Data: <X&#251;{             > 58 FB 7B 11 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000210117D8530, 16 bytes long.
 Data: <0&#251;{             > 30 FB 7B 11 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000210117D8BC0, 16 bytes long.
 Data: < &#251;{             > 08 FB 7B 11 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000210117D1220, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{288} normal block at 0x00000210117D89E0, 16 bytes long.
 Data: <&#224;&#250;{             > E0 FA 7B 11 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000210117BFAE0, 320 bytes long.
 Data: <&#224;&#137;}       }     > E0 89 7D 11 10 02 00 00 20 12 7D 11 10 02 00 00 
{286} normal block at 0x00000210117D8800, 16 bytes long.
 Data: <&#176;&#148;}             > B0 94 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000210117D9110, 16 bytes long.
 Data: < &#148;}             > 88 94 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000210117D18E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{283} normal block at 0x00000210117D8D50, 16 bytes long.
 Data: <`&#148;}             > 60 94 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000210117D12E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{281} normal block at 0x00000210117D8710, 16 bytes long.
 Data: <&#168;&#147;}             > A8 93 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000210117D88A0, 16 bytes long.
 Data: < &#147;}             > 80 93 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000210117D8C10, 16 bytes long.
 Data: <X&#147;}             > 58 93 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000210117D8E90, 16 bytes long.
 Data: <0&#147;}             > 30 93 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000210117D8B70, 16 bytes long.
 Data: < &#147;}             > 08 93 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000210117D84E0, 16 bytes long.
 Data: <&#224;&#146;}             > E0 92 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000210117D8490, 16 bytes long.
 Data: <P }             > 50 06 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000210117D0650, 40 bytes long.
 Data: < &#132;}      pZ     > 90 84 7D 11 10 02 00 00 90 70 5A 13 10 02 00 00 
{272} normal block at 0x00000210117D8440, 16 bytes long.
 Data: <&#192;&#146;}             > C0 92 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000210117D8CB0, 16 bytes long.
 Data: < &#146;}             > 98 92 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000210117D1100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{269} normal block at 0x00000210117D9070, 16 bytes long.
 Data: <p&#146;}             > 70 92 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000210117D9270, 992 bytes long.
 Data: <p }       }     > 70 90 7D 11 10 02 00 00 00 11 7D 11 10 02 00 00 
{104} normal block at 0x00000210117D0D40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{103} normal block at 0x00000210117CDF50, 16 bytes long.
 Data: <  }             > 10 08 7D 11 10 02 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x00000210117D0810, 40 bytes long.
 Data: <P&#223;|     @ }     > 50 DF 7C 11 10 02 00 00 40 0D 7D 11 10 02 00 00 
{81} normal block at 0x00000210117CE310, 16 bytes long.
 Data: < &#234;JB&#247;           > 80 EA 4A 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000210117CEC20, 16 bytes long.
 Data: <@&#233;JB&#247;           > 40 E9 4A 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000210117CE400, 16 bytes long.
 Data: <&#248;WGB&#247;           > F8 57 47 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000210117CE3B0, 16 bytes long.
 Data: <&#216;WGB&#247;           > D8 57 47 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000210117CE9F0, 16 bytes long.
 Data: <P GB&#247;           > 50 04 47 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000210117CE9A0, 16 bytes long.
 Data: <0 GB&#247;           > 30 04 47 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000210117CE2C0, 16 bytes long.
 Data: <&#224; GB&#247;           > E0 02 47 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000210117CE4F0, 16 bytes long.
 Data: <  GB&#247;           > 10 04 47 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000210117CE220, 16 bytes long.
 Data: <p GB&#247;           > 70 04 47 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000210117CE270, 16 bytes long.
 Data: < &#192;EB&#247;           > 18 C0 45 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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