Task 38683477

Name test_125-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9807_0
Workunit 31625032
Created 27 Oct 2026, 11:57:54 UTC
Sent 27 Oct 2026, 11:58:06 UTC
Report deadline 1 Nov 2026, 11:58:06 UTC
Received 27 Oct 2026, 13:27:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651032
Run time 1 hours 28 min 31 sec
CPU time 1 hours 18 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.53 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:01:25 (24460): wrapper (7.9.26016): starting
13:01:25 (24460): 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
13:01:28 (24460): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:01:28 (24460): 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 'D:\BOINC\slots\16\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 'D:\BOINC\slots\16\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
14:27:16 (24460): C:/Windows/system32/cmd.exe exited; CPU time 4692.343750
14:27:16 (24460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 124131343 bytes.
Dumping objects ->
{3835538} normal block at 0x000002163BE576E0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835527} normal block at 0x000002163DA67AF0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835516} normal block at 0x000002163DA66E90, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835505} normal block at 0x000002163DA68090, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835494} normal block at 0x000002163DA671F0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835463} normal block at 0x000002163BE57A60, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835452} normal block at 0x000002163BEBBCD0, 140 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) : {3835449} normal block at 0x000002163BE4EBB0, 8 bytes long.
 Data: <  &#221;;    > 00 00 DD 3B 16 02 00 00 
{3834706} normal block at 0x000002163BEBB990, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002163BE4F060, 8 bytes long.
 Data: <&#176;t&#167;=    > B0 74 A7 3D 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002163BE4F170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002163BE46EB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002163BE56200, 16 bytes long.
 Data: < u&#229;;            > 98 75 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002163BE56750, 16 bytes long.
 Data: <pu&#229;;            > 70 75 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002163BE50EC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002163BE56C50, 16 bytes long.
 Data: <Hu&#229;;            > 48 75 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002163BE56430, 16 bytes long.
 Data: < u&#229;;            > 20 75 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002163BE56570, 16 bytes long.
 Data: <&#248;t&#229;;            > F8 74 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002163BE56520, 16 bytes long.
 Data: <&#208;t&#229;;            > D0 74 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002163BE57750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002163BE561B0, 16 bytes long.
 Data: <&#248;&#247;&#227;;            > F8 F7 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002163BE51340, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002163BE55E40, 16 bytes long.
 Data: <&#208;&#247;&#227;;            > D0 F7 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002163BE56110, 16 bytes long.
 Data: <&#168;&#247;&#227;;            > A8 F7 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002163BE56070, 16 bytes long.
 Data: < &#247;&#227;;            > 80 F7 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002163BE56BB0, 16 bytes long.
 Data: <X&#247;&#227;;            > 58 F7 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002163BE55DA0, 16 bytes long.
 Data: <0&#247;&#227;;            > 30 F7 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002163BE56AC0, 16 bytes long.
 Data: < &#247;&#227;;            > 08 F7 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002163BE51CA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002163BE56700, 16 bytes long.
 Data: <&#224;&#246;&#227;;            > E0 F6 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002163BE3F6E0, 320 bytes long.
 Data: < g&#229;;    &#160; &#229;;    > 00 67 E5 3B 16 02 00 00 A0 1C E5 3B 16 02 00 00 
{281} normal block at 0x000002163BE56980, 16 bytes long.
 Data: <&#176;t&#229;;            > B0 74 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002163BE56B60, 16 bytes long.
 Data: < t&#229;;            > 88 74 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002163BE51C40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002163BE56390, 16 bytes long.
 Data: <`t&#229;;            > 60 74 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002163BE51100, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002163BE563E0, 16 bytes long.
 Data: <&#168;s&#229;;            > A8 73 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002163BE56840, 16 bytes long.
 Data: < s&#229;;            > 80 73 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002163BE568E0, 16 bytes long.
 Data: <Xs&#229;;            > 58 73 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002163BE56020, 16 bytes long.
 Data: <0s&#229;;            > 30 73 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002163BE56C00, 16 bytes long.
 Data: < s&#229;;            > 08 73 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002163BE56A70, 16 bytes long.
 Data: <&#224;r&#229;;            > E0 72 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002163BE562F0, 16 bytes long.
 Data: <&#224; &#229;;            > E0 07 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002163BE507E0, 40 bytes long.
 Data: <&#240;b&#229;;    `z&#229;;    > F0 62 E5 3B 16 02 00 00 60 7A E5 3B 16 02 00 00 
{267} normal block at 0x000002163BE567F0, 16 bytes long.
 Data: <&#192;r&#229;;            > C0 72 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002163BE56890, 16 bytes long.
 Data: < r&#229;;            > 98 72 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002163BE51BE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002163BE564D0, 16 bytes long.
 Data: <pr&#229;;            > 70 72 E5 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002163BE57270, 992 bytes long.
 Data: <&#208;d&#229;;    &#224; &#229;;    > D0 64 E5 3B 16 02 00 00 E0 1B E5 3B 16 02 00 00 
{99} normal block at 0x000002163BE50E00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002163BE4F010, 16 bytes long.
 Data: <P &#227;;            > 50 98 E3 3B 16 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002163BE39850, 40 bytes long.
 Data: < &#240;&#228;;      &#229;;    > 10 F0 E4 3B 16 02 00 00 00 0E E5 3B 16 02 00 00 
{76} normal block at 0x000002163BE4EC50, 16 bytes long.
 Data: < &#234;&#219; &#246;           > 80 EA DB 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002163BE4EB60, 16 bytes long.
 Data: <@&#233;&#219; &#246;           > 40 E9 DB 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002163BE4EF70, 16 bytes long.
 Data: <&#248;W&#216; &#246;           > F8 57 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002163BE4E2F0, 16 bytes long.
 Data: <&#216;W&#216; &#246;           > D8 57 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002163BE4EE80, 16 bytes long.
 Data: <P &#216; &#246;           > 50 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002163BE4EB10, 16 bytes long.
 Data: <0 &#216; &#246;           > 30 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002163BE4ECA0, 16 bytes long.
 Data: <&#224; &#216; &#246;           > E0 02 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002163BE4E890, 16 bytes long.
 Data: <  &#216; &#246;           > 10 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002163BE4EA70, 16 bytes long.
 Data: <p &#216; &#246;           > 70 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002163BE4E480, 16 bytes long.
 Data: < &#192;&#214; &#246;           > 18 C0 D6 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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