Task 38673560

Name test_141-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3776_0
Workunit 31615631
Created 26 Oct 2026, 2:45:12 UTC
Sent 26 Oct 2026, 2:45:17 UTC
Report deadline 31 Oct 2026, 2:45:17 UTC
Received 26 Oct 2026, 4:02:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637164
Run time 25 min 32 sec
CPU time 24 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 802.22 MB
Peak swap size 25.12 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:37:30 (9036): wrapper (7.9.26016): starting
22:37:30 (9036): 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
22:37:31 (9036): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:37:31 (9036): 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\106\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\106\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
23:01:56 (9036): C:/Windows/system32/cmd.exe exited; CPU time 1491.750000
23:01:56 (9036): 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: 45517099 bytes.
Dumping objects ->
{3835321} normal block at 0x0000017143D95D40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x0000017143D95870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x0000017143D958E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835288} normal block at 0x0000017143D964B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x0000017143D95E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835246} normal block at 0x0000017143D9D100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000017143DFEF70, 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) : {3835232} normal block at 0x0000017141EE0480, 8 bytes long.
 Data: <  EBq   > 00 00 45 42 71 01 00 00 
{3834580} normal block at 0x0000017143DFEC00, 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 0x0000017141EE02A0, 8 bytes long.
 Data: <&#176;R&#228;Cq   > B0 52 E4 43 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000017141ED6280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017141ED75B0, 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 0x0000017141EE5FC0, 16 bytes long.
 Data: <Hi&#238;Aq           > 48 69 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017141EE60B0, 16 bytes long.
 Data: < i&#238;Aq           > 20 69 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017141EE1680, 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 0x0000017141EE5B60, 16 bytes long.
 Data: <&#248;h&#238;Aq           > F8 68 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017141EE61F0, 16 bytes long.
 Data: <&#208;h&#238;Aq           > D0 68 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017141EE5CA0, 16 bytes long.
 Data: <&#168;h&#238;Aq           > A8 68 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017141EE5750, 16 bytes long.
 Data: < h&#238;Aq           > 80 68 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017141EE39A0, 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 0x0000017141EE5B10, 16 bytes long.
 Data: <x&#250;&#236;Aq           > 78 FA EC 41 71 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017141EE1260, 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 0x0000017141EE6150, 16 bytes long.
 Data: <P&#250;&#236;Aq           > 50 FA EC 41 71 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017141EE5E80, 16 bytes long.
 Data: <(&#250;&#236;Aq           > 28 FA EC 41 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017141EE57F0, 16 bytes long.
 Data: < &#250;&#236;Aq           > 00 FA EC 41 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017141EE5AC0, 16 bytes long.
 Data: <&#216;&#249;&#236;Aq           > D8 F9 EC 41 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017141EE6510, 16 bytes long.
 Data: <&#176;&#249;&#236;Aq           > B0 F9 EC 41 71 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017141EE6330, 16 bytes long.
 Data: < &#249;&#236;Aq           > 88 F9 EC 41 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017141EE0DE0, 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 0x0000017141EE5E30, 16 bytes long.
 Data: <`&#249;&#236;Aq           > 60 F9 EC 41 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017141ECF960, 320 bytes long.
 Data: <0^&#238;Aq   &#224; &#238;Aq   > 30 5E EE 41 71 01 00 00 E0 0D EE 41 71 01 00 00 
{277} normal block at 0x0000017141EE5C50, 16 bytes long.
 Data: <`h&#238;Aq           > 60 68 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017141EE5980, 16 bytes long.
 Data: <8h&#238;Aq           > 38 68 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017141EE15C0, 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 0x0000017141EE64C0, 16 bytes long.
 Data: < h&#238;Aq           > 10 68 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017141EE0BA0, 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 0x0000017141EE5660, 16 bytes long.
 Data: <Xg&#238;Aq           > 58 67 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017141EE57A0, 16 bytes long.
 Data: <0g&#238;Aq           > 30 67 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017141EE5D40, 16 bytes long.
 Data: < g&#238;Aq           > 08 67 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017141EE5C00, 16 bytes long.
 Data: <&#224;f&#238;Aq           > E0 66 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017141EE5700, 16 bytes long.
 Data: <&#184;f&#238;Aq           > B8 66 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017141EE61A0, 16 bytes long.
 Data: < f&#238;Aq           > 90 66 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017141EE59D0, 16 bytes long.
 Data: <&#176;<&#238;Aq           > B0 3C EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017141EE3CB0, 40 bytes long.
 Data: <&#208;Y&#238;Aq    &#209;&#217;Cq   > D0 59 EE 41 71 01 00 00 00 D1 D9 43 71 01 00 00 
{263} normal block at 0x0000017141EE5A20, 16 bytes long.
 Data: <pf&#238;Aq           > 70 66 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017141EE5930, 16 bytes long.
 Data: <Hf&#238;Aq           > 48 66 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017141EE0900, 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 0x0000017141EE5A70, 16 bytes long.
 Data: < f&#238;Aq           > 20 66 EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017141EE6620, 992 bytes long.
 Data: <pZ&#238;Aq    	&#238;Aq   > 70 5A EE 41 71 01 00 00 00 09 EE 41 71 01 00 00 
{95} normal block at 0x0000017141EE1620, 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 0x0000017141EE0840, 16 bytes long.
 Data: <&#224;>&#238;Aq           > E0 3E EE 41 71 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000017141EE3EE0, 40 bytes long.
 Data: <@ &#238;Aq     &#238;Aq   > 40 08 EE 41 71 01 00 00 20 16 EE 41 71 01 00 00 
{72} normal block at 0x0000017141EDFCB0, 16 bytes long.
 Data: < &#234;&#215;t&#246;           > 80 EA D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017141EDFB20, 16 bytes long.
 Data: <@&#233;&#215;t&#246;           > 40 E9 D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017141EE0200, 16 bytes long.
 Data: <&#248;W&#212;t&#246;           > F8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017141EE07A0, 16 bytes long.
 Data: <&#216;W&#212;t&#246;           > D8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017141EE0250, 16 bytes long.
 Data: <P &#212;t&#246;           > 50 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017141EE0570, 16 bytes long.
 Data: <0 &#212;t&#246;           > 30 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017141EE0700, 16 bytes long.
 Data: <&#224; &#212;t&#246;           > E0 02 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017141EDFA30, 16 bytes long.
 Data: <  &#212;t&#246;           > 10 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017141EDFA80, 16 bytes long.
 Data: <p &#212;t&#246;           > 70 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017141EE0430, 16 bytes long.
 Data: < &#192;&#210;t&#246;           > 18 C0 D2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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