Task 38681659

Name test_243-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4623_0
Workunit 31623317
Created 27 Oct 2026, 4:51:27 UTC
Sent 27 Oct 2026, 4:51:32 UTC
Report deadline 1 Nov 2026, 4:51:32 UTC
Received 27 Oct 2026, 7:19:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593978
Run time 45 min 4 sec
CPU time 42 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.39 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:36:09 (20012): wrapper (7.9.26016): starting
02:36:09 (20012): 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
02:36:11 (20012): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:36:11 (20012): 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\36\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\36\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
03:19:14 (20012): C:/Windows/system32/cmd.exe exited; CPU time 2563.156250
03:19:14 (20012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 45360874 bytes.
Dumping objects ->
{3835225} normal block at 0x0000025A31FF12C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000025A31FF0DF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000025A31FF0E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835192} normal block at 0x0000025A31FF0ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000025A31FF0A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835150} normal block at 0x0000025A320E20F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x0000025A320FB070, 85 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) : {3835136} normal block at 0x0000025A30346AE0, 8 bytes long.
 Data: <  .0Z   > 00 00 2E 30 5A 02 00 00 
{3834533} normal block at 0x0000025A320FBB10, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000025A30346450, 8 bytes long.
 Data: < &#218;90Z   > 80 DA 39 30 5A 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000025A30350FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025A30335B60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000025A30352A80, 16 bytes long.
 Data: <&#216;550Z           > D8 35 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025A30352A30, 16 bytes long.
 Data: <&#176;550Z           > B0 35 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025A3034D170, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000025A30351FE0, 16 bytes long.
 Data: < 550Z           > 88 35 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025A303528F0, 16 bytes long.
 Data: <`550Z           > 60 35 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025A303525D0, 16 bytes long.
 Data: <8550Z           > 38 35 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025A303529E0, 16 bytes long.
 Data: < 550Z           > 10 35 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025A3034C980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000025A303523F0, 16 bytes long.
 Data: <&#200;&#196;40Z           > C8 C4 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025A3034D470, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000025A30352B70, 16 bytes long.
 Data: <&#160;&#196;40Z           > A0 C4 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025A30352300, 16 bytes long.
 Data: <x&#196;40Z           > 78 C4 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025A30352530, 16 bytes long.
 Data: <P&#196;40Z           > 50 C4 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025A30352710, 16 bytes long.
 Data: <(&#196;40Z           > 28 C4 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025A30352990, 16 bytes long.
 Data: < &#196;40Z           > 00 C4 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025A303526C0, 16 bytes long.
 Data: <&#216;&#195;40Z           > D8 C3 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025A3034DB30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000025A30352620, 16 bytes long.
 Data: <&#176;&#195;40Z           > B0 C3 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025A3034C3B0, 320 bytes long.
 Data: < &50Z   0&#219;40Z   > 20 26 35 30 5A 02 00 00 30 DB 34 30 5A 02 00 00 
{272} normal block at 0x0000025A30352940, 16 bytes long.
 Data: <&#240;450Z           > F0 34 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025A30352030, 16 bytes long.
 Data: <&#200;450Z           > C8 34 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025A3034D230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000025A30352490, 16 bytes long.
 Data: <&#160;450Z           > A0 34 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025A3034D2F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000025A30352210, 16 bytes long.
 Data: <&#232;350Z           > E8 33 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025A303521C0, 16 bytes long.
 Data: <&#192;350Z           > C0 33 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025A30352B20, 16 bytes long.
 Data: < 350Z           > 98 33 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025A30352C60, 16 bytes long.
 Data: <p350Z           > 70 33 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025A303528A0, 16 bytes long.
 Data: <H350Z           > 48 33 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025A30352120, 16 bytes long.
 Data: < 350Z           > 20 33 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025A30352850, 16 bytes long.
 Data: <P&#199;40Z           > 50 C7 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025A3034C750, 40 bytes long.
 Data: <P(50Z   &#240;  2Z   > 50 28 35 30 5A 02 00 00 F0 20 0E 32 5A 02 00 00 
{258} normal block at 0x0000025A30352350, 16 bytes long.
 Data: < 350Z           > 00 33 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025A30352580, 16 bytes long.
 Data: <&#216;250Z           > D8 32 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025A3034CED0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000025A30352C10, 16 bytes long.
 Data: <&#176;250Z           > B0 32 35 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000025A303532B0, 992 bytes long.
 Data: < ,50Z   &#208;&#206;40Z   > 10 2C 35 30 5A 02 00 00 D0 CE 34 30 5A 02 00 00 
{90} normal block at 0x0000025A3034D830, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000025A303466D0, 16 bytes long.
 Data: <&#176;&#203;40Z           > B0 CB 34 30 5A 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000025A3034CBB0, 40 bytes long.
 Data: <&#208;f40Z   0&#216;40Z   > D0 66 34 30 5A 02 00 00 30 D8 34 30 5A 02 00 00 
{67} normal block at 0x0000025A30346360, 16 bytes long.
 Data: < &#234;&#217;&#218;&#247;           > 80 EA D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025A30347030, 16 bytes long.
 Data: <@&#233;&#217;&#218;&#247;           > 40 E9 D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025A303464F0, 16 bytes long.
 Data: <&#248;W&#214;&#218;&#247;           > F8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025A30346C70, 16 bytes long.
 Data: <&#216;W&#214;&#218;&#247;           > D8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025A30346F40, 16 bytes long.
 Data: <P &#214;&#218;&#247;           > 50 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025A30346EF0, 16 bytes long.
 Data: <0 &#214;&#218;&#247;           > 30 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025A30346DB0, 16 bytes long.
 Data: <&#224; &#214;&#218;&#247;           > E0 02 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025A303463B0, 16 bytes long.
 Data: <  &#214;&#218;&#247;           > 10 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025A303468B0, 16 bytes long.
 Data: <p &#214;&#218;&#247;           > 70 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025A30347210, 16 bytes long.
 Data: < &#192;&#212;&#218;&#247;           > 18 C0 D4 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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