Task 38685870

Name test_789-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0010_0
Workunit 31627324
Created 27 Oct 2026, 23:22:53 UTC
Sent 27 Oct 2026, 23:22:58 UTC
Report deadline 1 Nov 2026, 23:22:58 UTC
Received 28 Oct 2026, 1:24:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653368
Run time 34 min 9 sec
CPU time
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.63 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:50:37 (11280): wrapper (7.9.26016): starting
00:50:37 (11280): 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
00:50:38 (11280): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:50:38 (11280): 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:\BOINC2\slots\0\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:\BOINC2\slots\0\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
01:23:55 (11280): C:/Windows/system32/cmd.exe exited; CPU time 2013.375000
01:23:55 (11280): 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: 37597319 bytes.
Dumping objects ->
{3835234} normal block at 0x000001C423DD2B70, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835223} normal block at 0x000001C425ACE860, 32 bytes long.
 Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835212} normal block at 0x000001C425ACDF00, 32 bytes long.
 Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C 
{3835201} normal block at 0x000001C425ACDC60, 32 bytes long.
 Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835190} normal block at 0x000001C425ACD8A0, 32 bytes long.
 Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32 
{3835159} normal block at 0x000001C423DD2EF0, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835148} normal block at 0x000001C425A9C9D0, 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) : {3835145} normal block at 0x000001C423DCCF10, 8 bytes long.
 Data: <  &#218;#&#196;   > 00 00 DA 23 C4 01 00 00 
{3834543} normal block at 0x000001C425A9D0B0, 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 0x000001C423DCD190, 8 bytes long.
 Data: <p&#232; %&#196;   > 70 E8 99 25 C4 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C423DCF480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C423DC63C0, 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 0x000001C423DD37A0, 16 bytes long.
 Data: <XG&#221;#&#196;           > 58 47 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C423DD34D0, 16 bytes long.
 Data: <0G&#221;#&#196;           > 30 47 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C423DCD9F0, 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 0x000001C423DD3430, 16 bytes long.
 Data: < G&#221;#&#196;           > 08 47 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C423DD3520, 16 bytes long.
 Data: <&#224;F&#221;#&#196;           > E0 46 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C423DD3700, 16 bytes long.
 Data: <&#184;F&#221;#&#196;           > B8 46 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C423DD36B0, 16 bytes long.
 Data: < F&#221;#&#196;           > 90 46 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C423DD2E10, 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 0x000001C423DD3F70, 16 bytes long.
 Data: <&#200;&#198;&#220;#&#196;           > C8 C6 DC 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C423DCE290, 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 0x000001C423DD3A20, 16 bytes long.
 Data: <&#160;&#198;&#220;#&#196;           > A0 C6 DC 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C423DD3980, 16 bytes long.
 Data: <x&#198;&#220;#&#196;           > 78 C6 DC 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C423DD3B60, 16 bytes long.
 Data: <P&#198;&#220;#&#196;           > 50 C6 DC 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C423DD3890, 16 bytes long.
 Data: <(&#198;&#220;#&#196;           > 28 C6 DC 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C423DD3B10, 16 bytes long.
 Data: < &#198;&#220;#&#196;           > 00 C6 DC 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C423DD33E0, 16 bytes long.
 Data: <&#216;&#197;&#220;#&#196;           > D8 C5 DC 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C423DCDBD0, 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 0x000001C423DD3340, 16 bytes long.
 Data: <&#176;&#197;&#220;#&#196;           > B0 C5 DC 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C423DCC5B0, 320 bytes long.
 Data: <@3&#221;#&#196;   &#208;&#219;&#220;#&#196;   > 40 33 DD 23 C4 01 00 00 D0 DB DC 23 C4 01 00 00 
{277} normal block at 0x000001C423DD32F0, 16 bytes long.
 Data: <pF&#221;#&#196;           > 70 46 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C423DD32A0, 16 bytes long.
 Data: <HF&#221;#&#196;           > 48 46 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C423DCD990, 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 0x000001C423DD3FC0, 16 bytes long.
 Data: < F&#221;#&#196;           > 20 46 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C423DCE770, 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 0x000001C423DD3F20, 16 bytes long.
 Data: <hE&#221;#&#196;           > 68 45 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C423DD3200, 16 bytes long.
 Data: <@E&#221;#&#196;           > 40 45 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C423DD3BB0, 16 bytes long.
 Data: < E&#221;#&#196;           > 18 45 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C423DD3660, 16 bytes long.
 Data: <&#240;D&#221;#&#196;           > F0 44 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C423DD31B0, 16 bytes long.
 Data: <&#200;D&#221;#&#196;           > C8 44 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C423DD3AC0, 16 bytes long.
 Data: <&#160;D&#221;#&#196;           > A0 44 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C423DD3ED0, 16 bytes long.
 Data: <&#160;-&#221;#&#196;           > A0 2D DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C423DD2DA0, 40 bytes long.
 Data: <&#208;>&#221;#&#196;   &#240;.&#221;#&#196;   > D0 3E DD 23 C4 01 00 00 F0 2E DD 23 C4 01 00 00 
{263} normal block at 0x000001C423DD3390, 16 bytes long.
 Data: < D&#221;#&#196;           > 80 44 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C423DD3160, 16 bytes long.
 Data: <XD&#221;#&#196;           > 58 44 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C423DCE3B0, 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 0x000001C423DD3840, 16 bytes long.
 Data: <0D&#221;#&#196;           > 30 44 DD 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C423DD4430, 992 bytes long.
 Data: <@8&#221;#&#196;   &#176;&#227;&#220;#&#196;   > 40 38 DD 23 C4 01 00 00 B0 E3 DC 23 C4 01 00 00 
{95} normal block at 0x000001C423DCE7D0, 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 0x000001C423DCD5F0, 16 bytes long.
 Data: <0&#238;&#219;#&#196;           > 30 EE DB 23 C4 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001C423DBEE30, 40 bytes long.
 Data: <&#240;&#213;&#220;#&#196;   &#208;&#231;&#220;#&#196;   > F0 D5 DC 23 C4 01 00 00 D0 E7 DC 23 C4 01 00 00 
{72} normal block at 0x000001C423DCD5A0, 16 bytes long.
 Data: < &#234; &#213;&#247;           > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C423DCCBF0, 16 bytes long.
 Data: <@&#233; &#213;&#247;           > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C423DCC9C0, 16 bytes long.
 Data: <&#248;W&#255;&#212;&#247;           > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C423DCD370, 16 bytes long.
 Data: <&#216;W&#255;&#212;&#247;           > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C423DCCDD0, 16 bytes long.
 Data: <P &#255;&#212;&#247;           > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C423DCCD80, 16 bytes long.
 Data: <0 &#255;&#212;&#247;           > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C423DCD4B0, 16 bytes long.
 Data: <&#224; &#255;&#212;&#247;           > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C423DCD320, 16 bytes long.
 Data: <  &#255;&#212;&#247;           > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C423DCD410, 16 bytes long.
 Data: <p &#255;&#212;&#247;           > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C423DCCD30, 16 bytes long.
 Data: < &#192;&#253;&#212;&#247;           > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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