Task 38660867

Name test_89-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND3412_0
Workunit 31604335
Created 24 Oct 2026, 14:51:22 UTC
Sent 24 Oct 2026, 14:56:01 UTC
Report deadline 29 Oct 2026, 14:56:01 UTC
Received 24 Oct 2026, 16:24:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 1 hours 0 min 22 sec
CPU time 47 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.85 MB
Peak swap size 6.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:20:23 (9764): wrapper (7.9.26016): starting
08:20:23 (9764): 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
08:20:28 (9764): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:20:28 (9764): 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\3\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\3\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
09:21:38 (9764): C:/Windows/system32/cmd.exe exited; CPU time 2833.390625
09:21:38 (9764): 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: 46796141 bytes.
Dumping objects ->
{3835561} normal block at 0x0000024E4DC4C8F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x0000024E4C044250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000024E4C044020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x0000024E4C043FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x0000024E4C0442C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x0000024E4DC98500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000024E4DCAE420, 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) : {3835472} normal block at 0x0000024E4C03E5A0, 8 bytes long.
 Data: <  ]LN   > 00 00 5D 4C 4E 02 00 00 
{3834691} normal block at 0x0000024E4DCADC90, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000024E4C03E6E0, 8 bytes long.
 Data: <`&#233;&#186;MN   > 60 E9 BA 4D 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024E4C040020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024E4C02C740, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000024E4C045BB0, 16 bytes long.
 Data: <&#232;_ LN           > E8 5F 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024E4C044D00, 16 bytes long.
 Data: <&#192;_ LN           > C0 5F 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024E4C03F1F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000024E4C045700, 16 bytes long.
 Data: < _ LN           > 98 5F 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024E4C045A20, 16 bytes long.
 Data: <p_ LN           > 70 5F 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024E4C0458E0, 16 bytes long.
 Data: <H_ LN           > 48 5F 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024E4C044E40, 16 bytes long.
 Data: < _ LN           > 20 5F 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024E4C044560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000024E4C045840, 16 bytes long.
 Data: < &#223; LN           > 18 DF 03 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024E4C03F850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000024E4C0457A0, 16 bytes long.
 Data: <&#240;&#222; LN           > F0 DE 03 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024E4C044FD0, 16 bytes long.
 Data: <&#200;&#222; LN           > C8 DE 03 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024E4C045B60, 16 bytes long.
 Data: <&#160;&#222; LN           > A0 DE 03 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024E4C044F80, 16 bytes long.
 Data: <x&#222; LN           > 78 DE 03 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024E4C045250, 16 bytes long.
 Data: <P&#222; LN           > 50 DE 03 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024E4C044DA0, 16 bytes long.
 Data: <(&#222; LN           > 28 DE 03 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024E4C03F3D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000024E4C0456B0, 16 bytes long.
 Data: < &#222; LN           > 00 DE 03 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024E4C03DE00, 320 bytes long.
 Data: <&#176;V LN   &#208;&#243; LN   > B0 56 04 4C 4E 02 00 00 D0 F3 03 4C 4E 02 00 00 
{277} normal block at 0x0000024E4C045B10, 16 bytes long.
 Data: < _ LN           > 00 5F 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024E4C045890, 16 bytes long.
 Data: <&#216;^ LN           > D8 5E 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024E4C03FC70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000024E4C0452F0, 16 bytes long.
 Data: <&#176;^ LN           > B0 5E 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024E4C03F970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000024E4C045750, 16 bytes long.
 Data: <&#248;] LN           > F8 5D 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024E4C045520, 16 bytes long.
 Data: <&#208;] LN           > D0 5D 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024E4C0457F0, 16 bytes long.
 Data: <&#168;] LN           > A8 5D 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024E4C0451B0, 16 bytes long.
 Data: < ] LN           > 80 5D 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024E4C044EE0, 16 bytes long.
 Data: <X] LN           > 58 5D 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024E4C045160, 16 bytes long.
 Data: <0] LN           > 30 5D 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024E4C045020, 16 bytes long.
 Data: < @ LN           > 90 40 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024E4C044090, 40 bytes long.
 Data: < P LN    &#133;&#201;MN   > 20 50 04 4C 4E 02 00 00 00 85 C9 4D 4E 02 00 00 
{263} normal block at 0x0000024E4C045200, 16 bytes long.
 Data: < ] LN           > 10 5D 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024E4C0450C0, 16 bytes long.
 Data: <&#232;\ LN           > E8 5C 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024E4C03F6D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000024E4C0455C0, 16 bytes long.
 Data: <&#192;\ LN           > C0 5C 04 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024E4C045CC0, 992 bytes long.
 Data: <&#192;U LN   &#208;&#246; LN   > C0 55 04 4C 4E 02 00 00 D0 F6 03 4C 4E 02 00 00 
{95} normal block at 0x0000024E4C03F7F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000024E4C03E690, 16 bytes long.
 Data: <&#208;&#240; LN           > D0 F0 02 4C 4E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024E4C02F0D0, 40 bytes long.
 Data: < &#230; LN   &#240;&#247; LN   > 90 E6 03 4C 4E 02 00 00 F0 F7 03 4C 4E 02 00 00 
{72} normal block at 0x0000024E4C03E280, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024E4C03E500, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024E4C03E460, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024E4C03ED20, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024E4C03E050, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024E4C03E230, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024E4C03E9B0, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024E4C03ED70, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024E4C03EAA0, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024E4C03E140, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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