Task 38668889

Name test_801-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9835_1
Workunit 31611283
Created 25 Oct 2026, 13:03:15 UTC
Sent 25 Oct 2026, 13:03:26 UTC
Report deadline 30 Oct 2026, 13:03:26 UTC
Received 25 Oct 2026, 13:56:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631621
Run time 21 min 27 sec
CPU time 21 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.51 MB
Peak swap size 11.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:33:31 (11444): wrapper (7.9.26016): starting
08:33:31 (11444): 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
08:33:32 (11444): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:33:32 (11444): 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\14\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\14\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
08:55:27 (11444): C:/Windows/system32/cmd.exe exited; CPU time 1287.937500
08:55:27 (11444): 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: 25157467 bytes.
Dumping objects ->
{3835207} normal block at 0x00000223574E95D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000223574EA130, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000223574E9B10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x00000223574E9950, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x00000223574E9640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x0000022359209B60, 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) : {3835119} normal block at 0x00000223574BC050, 8 bytes long.
 Data: <  &#151;W#   > 00 00 97 57 23 02 00 00 
{3833961} normal block at 0x00000223574BC8C0, 8 bytes long.
 Data: <p&#227; Y#   > 70 E3 16 59 23 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000223574B5EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000223574BCFF0, 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 0x00000223574C2AD0, 16 bytes long.
 Data: < ?LW#           > 88 3F 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000223574C3250, 16 bytes long.
 Data: <`?LW#           > 60 3F 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000223574BEA20, 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 0x00000223574C2940, 16 bytes long.
 Data: <8?LW#           > 38 3F 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000223574C2CB0, 16 bytes long.
 Data: < ?LW#           > 10 3F 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000223574C37F0, 16 bytes long.
 Data: <&#232;>LW#           > E8 3E 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000223574C2C10, 16 bytes long.
 Data: <&#192;>LW#           > C0 3E 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000223574C1670, 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 0x00000223574C2A30, 16 bytes long.
 Data: < &#184;JW#           > 08 B8 4A 57 23 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000223574BEAE0, 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 0x00000223574C3750, 16 bytes long.
 Data: <&#224;&#183;JW#           > E0 B7 4A 57 23 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000223574C37A0, 16 bytes long.
 Data: <&#184;&#183;JW#           > B8 B7 4A 57 23 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000223574C2F80, 16 bytes long.
 Data: < &#183;JW#           > 90 B7 4A 57 23 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000223574C2D00, 16 bytes long.
 Data: <h&#183;JW#           > 68 B7 4A 57 23 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000223574C32F0, 16 bytes long.
 Data: <@&#183;JW#           > 40 B7 4A 57 23 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000223574C29E0, 16 bytes long.
 Data: < &#183;JW#           > 18 B7 4A 57 23 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000223574BE360, 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 0x00000223574C2A80, 16 bytes long.
 Data: <&#240;&#182;JW#           > F0 B6 4A 57 23 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000223574AB6F0, 320 bytes long.
 Data: < *LW#   `&#227;KW#   > 80 2A 4C 57 23 02 00 00 60 E3 4B 57 23 02 00 00 
{276} normal block at 0x00000223574C3160, 16 bytes long.
 Data: <&#160;>LW#           > A0 3E 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000223574C3660, 16 bytes long.
 Data: <x>LW#           > 78 3E 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000223574BE9C0, 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 0x00000223574C3610, 16 bytes long.
 Data: <P>LW#           > 50 3E 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000223574BE900, 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 0x00000223574C2BC0, 16 bytes long.
 Data: < =LW#           > 98 3D 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000223574C2C60, 16 bytes long.
 Data: <p=LW#           > 70 3D 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000223574C28F0, 16 bytes long.
 Data: <H=LW#           > 48 3D 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000223574C3200, 16 bytes long.
 Data: < =LW#           > 20 3D 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000223574C35C0, 16 bytes long.
 Data: <&#248;<LW#           > F8 3C 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000223574C31B0, 16 bytes long.
 Data: <&#208;<LW#           > D0 3C 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000223574C3700, 16 bytes long.
 Data: <&#224; LW#           > E0 16 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000223574C16E0, 40 bytes long.
 Data: < 7LW#   `&#155; Y#   > 00 37 4C 57 23 02 00 00 60 9B 20 59 23 02 00 00 
{262} normal block at 0x00000223574C3340, 16 bytes long.
 Data: <&#176;<LW#           > B0 3C 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000223574C28A0, 16 bytes long.
 Data: < <LW#           > 88 3C 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000223574BE120, 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 0x00000223574C2B20, 16 bytes long.
 Data: <`<LW#           > 60 3C 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000223574C3C60, 992 bytes long.
 Data: < +LW#    &#225;KW#   > 20 2B 4C 57 23 02 00 00 20 E1 4B 57 23 02 00 00 
{94} normal block at 0x00000223574BE5A0, 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 0x00000223574BC9B0, 16 bytes long.
 Data: <  LW#           > 00 16 4C 57 23 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000223574C1600, 40 bytes long.
 Data: <&#176;&#201;KW#   &#160;&#229;KW#   > B0 C9 4B 57 23 02 00 00 A0 E5 4B 57 23 02 00 00 
{71} normal block at 0x00000223574BCCD0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000223574BC960, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000223574BC6E0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000223574BBFB0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000223574BC190, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000223574BC000, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000223574BCAF0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000223574BCC80, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000223574BC870, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000223574BCBE0, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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