Task 38669281

Name test_858-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7155_1
Workunit 31610069
Created 25 Oct 2026, 14:09:25 UTC
Sent 25 Oct 2026, 14:09:35 UTC
Report deadline 30 Oct 2026, 14:09:35 UTC
Received 25 Oct 2026, 14:49:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 36 min 55 sec
CPU time 32 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.11 MB
Peak swap size 8.48 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
15:14:08 (5108): wrapper (7.9.26016): starting
15:14:08 (5108): 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
15:14:10 (5108): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:14:10 (5108): 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_data\slots\19\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_data\slots\19\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
15:48:07 (5108): C:/Windows/system32/cmd.exe exited; CPU time 1975.828125
15:48:07 (5108): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 43691989 bytes.
Dumping objects ->
{3835307} normal block at 0x0000023411E49840, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x0000023413AF7CE0, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x0000023413AF7C20, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x0000023413AF80A0, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x0000023413AF7FE0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x0000023411E491B0, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x0000023413AC0170, 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) : {3835218} normal block at 0x0000023411E17240, 8 bytes long.
 Data: <  w 4   > 00 00 77 13 34 02 00 00 
{3834570} normal block at 0x0000023413ABF300, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000023411E169D0, 8 bytes long.
 Data: <P&#235;&#155; 4   > 50 EB 9B 13 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023411E238C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023411E17E40, 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 0x0000023411E25670, 16 bytes long.
 Data: <&#232;[&#226; 4           > E8 5B E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023411E253A0, 16 bytes long.
 Data: <&#192;[&#226; 4           > C0 5B E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023411E1B810, 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 0x0000023411E250D0, 16 bytes long.
 Data: < [&#226; 4           > 98 5B E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023411E24FE0, 16 bytes long.
 Data: <p[&#226; 4           > 70 5B E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023411E25580, 16 bytes long.
 Data: <H[&#226; 4           > 48 5B E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023411E24F90, 16 bytes long.
 Data: < [&#226; 4           > 20 5B E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023411E1D980, 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 0x0000023411E24A40, 16 bytes long.
 Data: <X&#200;&#224; 4           > 58 C8 E0 11 34 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023411E1BE70, 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 0x0000023411E24950, 16 bytes long.
 Data: <0&#200;&#224; 4           > 30 C8 E0 11 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023411E25300, 16 bytes long.
 Data: < &#200;&#224; 4           > 08 C8 E0 11 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023411E24F40, 16 bytes long.
 Data: <&#224;&#199;&#224; 4           > E0 C7 E0 11 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023411E24DB0, 16 bytes long.
 Data: <&#184;&#199;&#224; 4           > B8 C7 E0 11 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023411E256C0, 16 bytes long.
 Data: < &#199;&#224; 4           > 90 C7 E0 11 34 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023411E24D60, 16 bytes long.
 Data: <h&#199;&#224; 4           > 68 C7 E0 11 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023411E1C110, 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 0x0000023411E251C0, 16 bytes long.
 Data: <@&#199;&#224; 4           > 40 C7 E0 11 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023411E0C740, 320 bytes long.
 Data: <&#192;Q&#226; 4    &#193;&#225; 4   > C0 51 E2 11 34 02 00 00 10 C1 E1 11 34 02 00 00 
{274} normal block at 0x0000023411E25440, 16 bytes long.
 Data: < [&#226; 4           > 00 5B E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023411E25350, 16 bytes long.
 Data: <&#216;Z&#226; 4           > D8 5A E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023411E1C590, 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 0x0000023411E25800, 16 bytes long.
 Data: <&#176;Z&#226; 4           > B0 5A E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023411E1BC30, 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 0x0000023411E252B0, 16 bytes long.
 Data: <&#248;Y&#226; 4           > F8 59 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023411E25530, 16 bytes long.
 Data: <&#208;Y&#226; 4           > D0 59 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023411E24D10, 16 bytes long.
 Data: <&#168;Y&#226; 4           > A8 59 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023411E24CC0, 16 bytes long.
 Data: < Y&#226; 4           > 80 59 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023411E254E0, 16 bytes long.
 Data: <XY&#226; 4           > 58 59 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023411E25490, 16 bytes long.
 Data: <0Y&#226; 4           > 30 59 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023411E24EF0, 16 bytes long.
 Data: < &#217;&#225; 4           > 10 D9 E1 11 34 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023411E1D910, 40 bytes long.
 Data: <&#240;N&#226; 4   &#176;&#145;&#228; 4   > F0 4E E2 11 34 02 00 00 B0 91 E4 11 34 02 00 00 
{260} normal block at 0x0000023411E24B80, 16 bytes long.
 Data: < Y&#226; 4           > 10 59 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023411E25850, 16 bytes long.
 Data: <&#232;X&#226; 4           > E8 58 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023411E1BF90, 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 0x0000023411E257B0, 16 bytes long.
 Data: <&#192;X&#226; 4           > C0 58 E2 11 34 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023411E258C0, 992 bytes long.
 Data: <&#176;W&#226; 4    &#191;&#225; 4   > B0 57 E2 11 34 02 00 00 90 BF E1 11 34 02 00 00 
{92} normal block at 0x0000023411E1BBD0, 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 0x0000023411E171A0, 16 bytes long.
 Data: <&#240;&#217;&#225; 4           > F0 D9 E1 11 34 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000023411E1D9F0, 40 bytes long.
 Data: <&#160;q&#225; 4   &#208;&#187;&#225; 4   > A0 71 E1 11 34 02 00 00 D0 BB E1 11 34 02 00 00 
{69} normal block at 0x0000023411E17470, 16 bytes long.
 Data: < &#234;&#148;&#191;&#246;           > 80 EA 94 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023411E16930, 16 bytes long.
 Data: <@&#233;&#148;&#191;&#246;           > 40 E9 94 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023411E16BB0, 16 bytes long.
 Data: <&#248;W&#145;&#191;&#246;           > F8 57 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023411E175B0, 16 bytes long.
 Data: <&#216;W&#145;&#191;&#246;           > D8 57 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023411E17650, 16 bytes long.
 Data: <P &#145;&#191;&#246;           > 50 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023411E16B60, 16 bytes long.
 Data: <0 &#145;&#191;&#246;           > 30 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023411E16DE0, 16 bytes long.
 Data: <&#224; &#145;&#191;&#246;           > E0 02 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023411E16D90, 16 bytes long.
 Data: <  &#145;&#191;&#246;           > 10 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023411E16E80, 16 bytes long.
 Data: <p &#145;&#191;&#246;           > 70 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023411E171F0, 16 bytes long.
 Data: < &#192;&#143;&#191;&#246;           > 18 C0 8F BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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