Task 38647103

Name test_1-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND9951_0
Workunit 31591838
Created 23 Oct 2026, 19:56:08 UTC
Sent 23 Oct 2026, 19:56:17 UTC
Report deadline 28 Oct 2026, 19:56:17 UTC
Received 23 Oct 2026, 23:57:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 1 min 56 sec
CPU time 52 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.35 MB
Peak swap size 2.22 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:57:24 (5988): wrapper (7.9.26016): starting
16:57:24 (5988): 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
16:57:26 (5988): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:57:26 (5988): 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\7\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\7\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
17:56:33 (5988): C:/Windows/system32/cmd.exe exited; CPU time 3153.515625
17:56:33 (5988): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 39913787 bytes.
Dumping objects ->
{3835251} normal block at 0x000001C86C31E3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001C86C31EC00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001C86C31E5E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001C86C31F0D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001C86C31E9D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001C86C3F1A70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001C86A7537A0, 235 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) : {3835162} normal block at 0x000001C86A758400, 8 bytes long.
 Data: <  rj&#200;   > 00 00 72 6A C8 01 00 00 
{3834555} normal block at 0x000001C86A7544B0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001C86A758B30, 8 bytes long.
 Data: <&#208;)?l&#200;   > D0 29 3F 6C C8 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001C86A7622E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C86A74CE90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001C86A7639B0, 16 bytes long.
 Data: < Evj&#200;           > 88 45 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C86A763640, 16 bytes long.
 Data: <`Evj&#200;           > 60 45 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C86A75ECD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001C86A7635F0, 16 bytes long.
 Data: <8Evj&#200;           > 38 45 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C86A763B40, 16 bytes long.
 Data: < Evj&#200;           > 10 45 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C86A7636E0, 16 bytes long.
 Data: <&#232;Dvj&#200;           > E8 44 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C86A763410, 16 bytes long.
 Data: <&#192;Dvj&#200;           > C0 44 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C86A75D3C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001C86A763370, 16 bytes long.
 Data: <&#216;&#223;uj&#200;           > D8 DF 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C86A75E550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001C86A763A00, 16 bytes long.
 Data: <&#176;&#223;uj&#200;           > B0 DF 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C86A7633C0, 16 bytes long.
 Data: < &#223;uj&#200;           > 88 DF 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C86A763280, 16 bytes long.
 Data: <`&#223;uj&#200;           > 60 DF 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C86A763DC0, 16 bytes long.
 Data: <8&#223;uj&#200;           > 38 DF 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C86A763780, 16 bytes long.
 Data: < &#223;uj&#200;           > 10 DF 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C86A763B90, 16 bytes long.
 Data: <&#232;&#222;uj&#200;           > E8 DE 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C86A75EA30, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x000001C86A763230, 16 bytes long.
 Data: <&#192;&#222;uj&#200;           > C0 DE 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C86A75DEC0, 320 bytes long.
 Data: <02vj&#200;   0&#234;uj&#200;   > 30 32 76 6A C8 01 00 00 30 EA 75 6A C8 01 00 00 
{268} normal block at 0x000001C86A763AF0, 16 bytes long.
 Data: <&#160;Dvj&#200;           > A0 44 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C86A763F00, 16 bytes long.
 Data: <xDvj&#200;           > 78 44 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C86A75EFD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001C86A7631E0, 16 bytes long.
 Data: <PDvj&#200;           > 50 44 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C86A75E970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001C86A763FF0, 16 bytes long.
 Data: < Cvj&#200;           > 98 43 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C86A763E60, 16 bytes long.
 Data: <pCvj&#200;           > 70 43 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C86A763C80, 16 bytes long.
 Data: <HCvj&#200;           > 48 43 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C86A763320, 16 bytes long.
 Data: < Cvj&#200;           > 20 43 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C86A7632D0, 16 bytes long.
 Data: <&#248;Bvj&#200;           > F8 42 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C86A7635A0, 16 bytes long.
 Data: <&#208;Bvj&#200;           > D0 42 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C86A7638C0, 16 bytes long.
 Data: <&#176;&#208;uj&#200;           > B0 D0 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C86A75D0B0, 40 bytes long.
 Data: <&#192;8vj&#200;   p ?l&#200;   > C0 38 76 6A C8 01 00 00 70 1A 3F 6C C8 01 00 00 
{254} normal block at 0x000001C86A763D20, 16 bytes long.
 Data: <&#176;Bvj&#200;           > B0 42 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001C86A763AA0, 16 bytes long.
 Data: < Bvj&#200;           > 88 42 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C86A75E670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001C86A763D70, 16 bytes long.
 Data: <`Bvj&#200;           > 60 42 76 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001C86A764260, 992 bytes long.
 Data: <p=vj&#200;   p&#230;uj&#200;   > 70 3D 76 6A C8 01 00 00 70 E6 75 6A C8 01 00 00 
{86} normal block at 0x000001C86A75EDF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001C86A759080, 16 bytes long.
 Data: <@&#208;uj&#200;           > 40 D0 75 6A C8 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001C86A75D040, 40 bytes long.
 Data: <  uj&#200;   &#240;&#237;uj&#200;   > 80 90 75 6A C8 01 00 00 F0 ED 75 6A C8 01 00 00 
{63} normal block at 0x000001C86A7586D0, 16 bytes long.
 Data: < &#234;0&#151;&#246;           > 80 EA 30 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C86A758860, 16 bytes long.
 Data: <@&#233;0&#151;&#246;           > 40 E9 30 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C86A758D60, 16 bytes long.
 Data: <&#248;W-&#151;&#246;           > F8 57 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C86A758680, 16 bytes long.
 Data: <&#216;W-&#151;&#246;           > D8 57 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C86A758630, 16 bytes long.
 Data: <P -&#151;&#246;           > 50 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C86A7590D0, 16 bytes long.
 Data: <0 -&#151;&#246;           > 30 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C86A758360, 16 bytes long.
 Data: <&#224; -&#151;&#246;           > E0 02 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C86A758F40, 16 bytes long.
 Data: <  -&#151;&#246;           > 10 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001C86A758DB0, 16 bytes long.
 Data: <p -&#151;&#246;           > 70 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001C86A758D10, 16 bytes long.
 Data: < &#192;+&#151;&#246;           > 18 C0 2B 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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