Task 38687448

Name test_625-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2581_0
Workunit 31628838
Created 28 Oct 2026, 7:53:15 UTC
Sent 28 Oct 2026, 7:53:19 UTC
Report deadline 2 Nov 2026, 7:53:19 UTC
Received 28 Oct 2026, 11:14:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 53 min 24 sec
CPU time 47 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.59 MB
Peak swap size 8.42 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:23:19 (2692): wrapper (7.9.26016): starting
03:23:19 (2692): 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
03:23:22 (2692): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:23:22 (2692): 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
04:14:14 (2692): C:/Windows/system32/cmd.exe exited; CPU time 2864.890625
04:14:14 (2692): 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: 58418925 bytes.
Dumping objects ->
{3835458} normal block at 0x000002296CBE9A60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000002296CBEA2B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x000002296CBE9C20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x000002296AF05060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000002296AF04FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x000002296CBF6CF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000002296CC0F470, 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) : {3835369} normal block at 0x000002296AEFE200, 8 bytes long.
 Data: <  &#237;j)   > 00 00 ED 6A 29 02 00 00 
{3834654} normal block at 0x000002296CC0F3C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002296AEFDC60, 8 bytes long.
 Data: < &#138;&#190;l)   > 00 8A BE 6C 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002296AF021A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002296AEF7040, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002296AF06AE0, 16 bytes long.
 Data: <&#168;p&#240;j)           > A8 70 F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002296AF069F0, 16 bytes long.
 Data: < p&#240;j)           > 80 70 F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002296AEFFA70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002296AF062C0, 16 bytes long.
 Data: <Xp&#240;j)           > 58 70 F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002296AF06860, 16 bytes long.
 Data: <0p&#240;j)           > 30 70 F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002296AF06900, 16 bytes long.
 Data: < p&#240;j)           > 08 70 F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002296AF06270, 16 bytes long.
 Data: <&#224;o&#240;j)           > E0 6F F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002296AF051B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002296AF06590, 16 bytes long.
 Data: <X\&#240;j)           > 58 5C F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002296AF000D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002296AF06090, 16 bytes long.
 Data: <0\&#240;j)           > 30 5C F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002296AF06D10, 16 bytes long.
 Data: < \&#240;j)           > 08 5C F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002296AF05EB0, 16 bytes long.
 Data: <&#224;[&#240;j)           > E0 5B F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002296AF06C20, 16 bytes long.
 Data: <&#184;[&#240;j)           > B8 5B F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002296AF06B80, 16 bytes long.
 Data: < [&#240;j)           > 90 5B F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002296AF066D0, 16 bytes long.
 Data: <h[&#240;j)           > 68 5B F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002296AF00670, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002296AF06630, 16 bytes long.
 Data: <@[&#240;j)           > 40 5B F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002296AF05B40, 320 bytes long.
 Data: <0f&#240;j)   p &#240;j)   > 30 66 F0 6A 29 02 00 00 70 06 F0 6A 29 02 00 00 
{278} normal block at 0x000002296AF06040, 16 bytes long.
 Data: <&#192;o&#240;j)           > C0 6F F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002296AF06A40, 16 bytes long.
 Data: < o&#240;j)           > 98 6F F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002296AF006D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002296AF05F50, 16 bytes long.
 Data: <po&#240;j)           > 70 6F F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002296AEFFD70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002296AF06720, 16 bytes long.
 Data: <&#184;n&#240;j)           > B8 6E F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002296AF06C70, 16 bytes long.
 Data: < n&#240;j)           > 90 6E F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002296AF064F0, 16 bytes long.
 Data: <hn&#240;j)           > 68 6E F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002296AF06680, 16 bytes long.
 Data: <@n&#240;j)           > 40 6E F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002296AF06A90, 16 bytes long.
 Data: < n&#240;j)           > 18 6E F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002296AF05F00, 16 bytes long.
 Data: <&#240;m&#240;j)           > F0 6D F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002296AF064A0, 16 bytes long.
 Data: <&#224;S&#240;j)           > E0 53 F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002296AF053E0, 40 bytes long.
 Data: <&#160;d&#240;j)   &#240;l&#191;l)   > A0 64 F0 6A 29 02 00 00 F0 6C BF 6C 29 02 00 00 
{264} normal block at 0x000002296AF06CC0, 16 bytes long.
 Data: <&#208;m&#240;j)           > D0 6D F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002296AF06810, 16 bytes long.
 Data: <&#168;m&#240;j)           > A8 6D F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002296AF005B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002296AF060E0, 16 bytes long.
 Data: < m&#240;j)           > 80 6D F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002296AF06D80, 992 bytes long.
 Data: <&#224;`&#240;j)   &#176; &#240;j)   > E0 60 F0 6A 29 02 00 00 B0 05 F0 6A 29 02 00 00 
{96} normal block at 0x000002296AF00190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002296AEFD8F0, 16 bytes long.
 Data: < R&#240;j)           > 90 52 F0 6A 29 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002296AF05290, 40 bytes long.
 Data: <&#240;&#216;&#239;j)     &#240;j)   > F0 D8 EF 6A 29 02 00 00 90 01 F0 6A 29 02 00 00 
{73} normal block at 0x000002296AEFDD00, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002296AEFDC10, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002296AEFDE40, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002296AEFE1B0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002296AEFE570, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002296AEFE4D0, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002296AEFD990, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002296AEFDD50, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002296AEFE340, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002296AEFE3E0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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