Task 38677311

Name test_428-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8580_0
Workunit 31619190
Created 26 Oct 2026, 13:56:05 UTC
Sent 26 Oct 2026, 13:56:08 UTC
Report deadline 31 Oct 2026, 13:56:08 UTC
Received 26 Oct 2026, 14:18:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 185928
Run time 22 min 2 sec
CPU time 21 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,775.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.24 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:57:10 (69784): wrapper (7.9.26016): starting
09:57:10 (69784): 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
09:57:11 (69784): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:57:11 (69784): 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 'G:\BoincData\slots\21\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 'G:\BoincData\slots\21\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
10:18:20 (69784): C:/Windows/system32/cmd.exe exited; CPU time 1266.062500
10:18:20 (69784): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 28043549 bytes.
Dumping objects ->
{3835574} normal block at 0x000001C66E021100, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835563} normal block at 0x000001C66E166BD0, 32 bytes long.
 Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835552} normal block at 0x000001C66E165610, 32 bytes long.
 Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835541} normal block at 0x000001C66E166AB0, 32 bytes long.
 Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835530} normal block at 0x000001C66E165910, 32 bytes long.
 Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44 
{3835499} normal block at 0x000001C66E021090, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x000001C66C46FDC0, 8 bytes long.
 Data: <  &#134;l&#198;   > 00 00 86 6C C6 01 00 00 
{3833957} normal block at 0x000001C66C46F640, 8 bytes long.
 Data: <&#176;&#200; n&#198;   > B0 C8 1A 6E C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001C66C471B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C66C469F40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001C66C47D250, 16 bytes long.
 Data: <X&#222;Gl&#198;           > 58 DE 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C66C47CD00, 16 bytes long.
 Data: <0&#222;Gl&#198;           > 30 DE 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C66C479CA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001C66C47CCB0, 16 bytes long.
 Data: < &#222;Gl&#198;           > 08 DE 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C66C47CBC0, 16 bytes long.
 Data: <&#224;&#221;Gl&#198;           > E0 DD 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C66C47D200, 16 bytes long.
 Data: <&#184;&#221;Gl&#198;           > B8 DD 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C66C47D020, 16 bytes long.
 Data: < &#221;Gl&#198;           > 90 DD 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C66C476FB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001C66C47DAC0, 16 bytes long.
 Data: <x&#139;Fl&#198;           > 78 8B 46 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C66C4793A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001C66C47D6B0, 16 bytes long.
 Data: <P&#139;Fl&#198;           > 50 8B 46 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C66C47DA70, 16 bytes long.
 Data: <(&#139;Fl&#198;           > 28 8B 46 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C66C47DA20, 16 bytes long.
 Data: < &#139;Fl&#198;           > 00 8B 46 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C66C47CF80, 16 bytes long.
 Data: <&#216;&#138;Fl&#198;           > D8 8A 46 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C66C47CC60, 16 bytes long.
 Data: <&#176;&#138;Fl&#198;           > B0 8A 46 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C66C47D700, 16 bytes long.
 Data: < &#138;Fl&#198;           > 88 8A 46 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C66C479700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001C66C47D7A0, 16 bytes long.
 Data: <`&#138;Fl&#198;           > 60 8A 46 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C66C468A60, 320 bytes long.
 Data: <&#160;&#215;Gl&#198;    &#151;Gl&#198;   > A0 D7 47 6C C6 01 00 00 00 97 47 6C C6 01 00 00 
{274} normal block at 0x000001C66C47D840, 16 bytes long.
 Data: <p&#221;Gl&#198;           > 70 DD 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C66C47D520, 16 bytes long.
 Data: <H&#221;Gl&#198;           > 48 DD 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C66C479C40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001C66C47D430, 16 bytes long.
 Data: < &#221;Gl&#198;           > 20 DD 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C66C479EE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001C66C47CF30, 16 bytes long.
 Data: <h&#220;Gl&#198;           > 68 DC 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C66C47D1B0, 16 bytes long.
 Data: <@&#220;Gl&#198;           > 40 DC 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C66C47CE90, 16 bytes long.
 Data: < &#220;Gl&#198;           > 18 DC 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C66C47D660, 16 bytes long.
 Data: <&#240;&#219;Gl&#198;           > F0 DB 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C66C47D610, 16 bytes long.
 Data: <&#200;&#219;Gl&#198;           > C8 DB 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C66C47D160, 16 bytes long.
 Data: <&#160;&#219;Gl&#198;           > A0 DB 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C66C47D9D0, 16 bytes long.
 Data: <&#224;jGl&#198;           > E0 6A 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C66C476AE0, 40 bytes long.
 Data: <&#208;&#217;Gl&#198;      n&#198;   > D0 D9 47 6C C6 01 00 00 90 10 02 6E C6 01 00 00 
{260} normal block at 0x000001C66C47D0C0, 16 bytes long.
 Data: < &#219;Gl&#198;           > 80 DB 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C66C47CB70, 16 bytes long.
 Data: <X&#219;Gl&#198;           > 58 DB 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C66C479B20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001C66C47CEE0, 16 bytes long.
 Data: <0&#219;Gl&#198;           > 30 DB 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C66C47DB30, 992 bytes long.
 Data: <&#224;&#206;Gl&#198;    &#155;Gl&#198;   > E0 CE 47 6C C6 01 00 00 20 9B 47 6C C6 01 00 00 
{92} normal block at 0x000001C66C479DC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001C66C46F500, 16 bytes long.
 Data: <&#192;kGl&#198;           > C0 6B 47 6C C6 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001C66C476BC0, 40 bytes long.
 Data: < &#245;Fl&#198;   &#192; Gl&#198;   > 00 F5 46 6C C6 01 00 00 C0 9D 47 6C C6 01 00 00 
{69} normal block at 0x000001C66C46F370, 16 bytes long.
 Data: < &#234;~ &#246;           > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C66C46F4B0, 16 bytes long.
 Data: <@&#233;~ &#246;           > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C66C46F280, 16 bytes long.
 Data: <&#248;W{ &#246;           > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C66C46F2D0, 16 bytes long.
 Data: <&#216;W{ &#246;           > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C66C46F8C0, 16 bytes long.
 Data: <P { &#246;           > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C66C46FA00, 16 bytes long.
 Data: <0 { &#246;           > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C66C46F320, 16 bytes long.
 Data: <&#224; { &#246;           > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C66C46FD70, 16 bytes long.
 Data: <  { &#246;           > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C66C46FD20, 16 bytes long.
 Data: <p { &#246;           > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C66C46FCD0, 16 bytes long.
 Data: < &#192;y &#246;           > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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