Task 38685006

Name test_18-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6570_0
Workunit 31626498
Created 27 Oct 2026, 18:58:20 UTC
Sent 27 Oct 2026, 18:58:31 UTC
Report deadline 1 Nov 2026, 18:58:31 UTC
Received 27 Oct 2026, 19:38:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 38 min 2 sec
CPU time 37 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.79 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:00:20 (26768): wrapper (7.9.26016): starting
20:00:20 (26768): 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
20:00:21 (26768): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:00:21 (26768): 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\4\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\4\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
20:37:31 (26768): C:/Windows/system32/cmd.exe exited; CPU time 2228.593750
20:37:31 (26768): 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: 39151611 bytes.
Dumping objects ->
{3835244} normal block at 0x000001B106C070E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001B106C06970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001B106C06B30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x000001B106C06DD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000001B106C06E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x000001B106C075A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000001B1086EDB60, 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) : {3835155} normal block at 0x000001B106BD7880, 8 bytes long.
 Data: <  F &#177;   > 00 00 46 08 B1 01 00 00 
{3834549} normal block at 0x000001B1086EE920, 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 0x000001B106BD6D90, 8 bytes long.
 Data: <&#224;&#233;&#203; &#177;   > E0 E9 CB 06 B1 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B106BE1D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B106BC60C0, 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 0x000001B106BE3AC0, 16 bytes long.
 Data: <HC&#190; &#177;           > 48 43 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B106BE3610, 16 bytes long.
 Data: < C&#190; &#177;           > 20 43 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B106BDBBC0, 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 0x000001B106BE3110, 16 bytes long.
 Data: <&#248;B&#190; &#177;           > F8 42 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B106BE3480, 16 bytes long.
 Data: <&#208;B&#190; &#177;           > D0 42 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B106BE33E0, 16 bytes long.
 Data: <&#168;B&#190; &#177;           > A8 42 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B106BE3890, 16 bytes long.
 Data: < B&#190; &#177;           > 80 42 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B106BDDD50, 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 0x000001B106BE3390, 16 bytes long.
 Data: <&#184;&#216;&#189; &#177;           > B8 D8 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B106BDBB60, 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 0x000001B106BE3070, 16 bytes long.
 Data: < &#216;&#189; &#177;           > 90 D8 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B106BE3A70, 16 bytes long.
 Data: <h&#216;&#189; &#177;           > 68 D8 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B106BE3430, 16 bytes long.
 Data: <@&#216;&#189; &#177;           > 40 D8 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B106BE3840, 16 bytes long.
 Data: < &#216;&#189; &#177;           > 18 D8 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B106BE3250, 16 bytes long.
 Data: <&#240;&#215;&#189; &#177;           > F0 D7 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B106BE3020, 16 bytes long.
 Data: <&#200;&#215;&#189; &#177;           > C8 D7 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B106BDBC20, 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 0x000001B106BE31B0, 16 bytes long.
 Data: <&#160;&#215;&#189; &#177;           > A0 D7 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B106BDD7A0, 320 bytes long.
 Data: <&#176;1&#190; &#177;    &#188;&#189; &#177;   > B0 31 BE 06 B1 01 00 00 20 BC BD 06 B1 01 00 00 
{278} normal block at 0x000001B106BE35C0, 16 bytes long.
 Data: <`B&#190; &#177;           > 60 42 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B106BE2CB0, 16 bytes long.
 Data: <8B&#190; &#177;           > 38 42 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B106BDBB00, 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 0x000001B106BE3A20, 16 bytes long.
 Data: < B&#190; &#177;           > 10 42 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B106BDC8E0, 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 0x000001B106BE3980, 16 bytes long.
 Data: <XA&#190; &#177;           > 58 41 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B106BE3340, 16 bytes long.
 Data: <0A&#190; &#177;           > 30 41 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B106BE2F30, 16 bytes long.
 Data: < A&#190; &#177;           > 08 41 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B106BE2EE0, 16 bytes long.
 Data: <&#224;@&#190; &#177;           > E0 40 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B106BE2E40, 16 bytes long.
 Data: <&#184;@&#190; &#177;           > B8 40 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B106BE37F0, 16 bytes long.
 Data: < @&#190; &#177;           > 90 40 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B106BE39D0, 16 bytes long.
 Data: < &#219;&#189; &#177;           > 90 DB BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B106BDDB90, 40 bytes long.
 Data: <&#208;9&#190; &#177;   &#160;u&#192; &#177;   > D0 39 BE 06 B1 01 00 00 A0 75 C0 06 B1 01 00 00 
{264} normal block at 0x000001B106BE3B10, 16 bytes long.
 Data: <p@&#190; &#177;           > 70 40 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B106BE3570, 16 bytes long.
 Data: <H@&#190; &#177;           > 48 40 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B106BDC040, 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 0x000001B106BE3BB0, 16 bytes long.
 Data: < @&#190; &#177;           > 20 40 BE 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B106BE4020, 992 bytes long.
 Data: <&#176;;&#190; &#177;   @&#192;&#189; &#177;   > B0 3B BE 06 B1 01 00 00 40 C0 BD 06 B1 01 00 00 
{96} normal block at 0x000001B106BDBF80, 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 0x000001B106BD6D40, 16 bytes long.
 Data: <`&#224;&#189; &#177;           > 60 E0 BD 06 B1 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001B106BDE060, 40 bytes long.
 Data: <@m&#189; &#177;    &#191;&#189; &#177;   > 40 6D BD 06 B1 01 00 00 80 BF BD 06 B1 01 00 00 
{73} normal block at 0x000001B106BD7830, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B106BD7060, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B106BD6E30, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B106BD6FC0, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B106BD7510, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B106BD72E0, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B106BD7AB0, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B106BD71F0, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B106BD7290, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B106BD74C0, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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