Task 38653604

Name test_209-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND5102_1
Workunit 31597377
Created 24 Oct 2026, 5:53:59 UTC
Sent 24 Oct 2026, 6:04:07 UTC
Report deadline 29 Oct 2026, 6:04:07 UTC
Received 24 Oct 2026, 8:20:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653804
Run time 36 min 48 sec
CPU time 35 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.31 MB
Peak swap size 5.34 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:43:43 (28496): wrapper (7.9.26016): starting
02:43:43 (28496): 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
02:43:44 (28496): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:43:44 (28496): 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\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:\ProgramData\BOINC\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
03:20:30 (28496): C:/Windows/system32/cmd.exe exited; CPU time 2133.578125
03:20:30 (28496): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 46525421 bytes.
Dumping objects ->
{3835276} normal block at 0x0000011C0B825DD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000011C0B825510, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000011C0B826070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x0000011C09A15050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000011C09A15670, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x0000011C0B7C8F30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835188} normal block at 0x0000011C09A0DB30, 8 bytes long.
 Data: <  &#245;	    > 00 00 F5 09 1C 01 00 00 
{3833963} normal block at 0x0000011C09A0DA90, 8 bytes long.
 Data: < &#230;&#174;	    > 10 E6 AE 09 1C 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000011C09A11D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000011C09A06B20, 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 0x0000011C09A16570, 16 bytes long.
 Data: <Ho&#161;	            > 48 6F A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000011C09A16340, 16 bytes long.
 Data: < o&#161;	            > 20 6F A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000011C09A101C0, 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 0x0000011C09A162F0, 16 bytes long.
 Data: <&#248;n&#161;	            > F8 6E A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000011C09A16840, 16 bytes long.
 Data: <&#208;n&#161;	            > D0 6E A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000011C09A169D0, 16 bytes long.
 Data: <&#168;n&#161;	            > A8 6E A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000011C09A162A0, 16 bytes long.
 Data: < n&#161;	            > 80 6E A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000011C09A15520, 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 0x0000011C09A16250, 16 bytes long.
 Data: <(&#149;&#160;	            > 28 95 A0 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000011C09A10400, 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 0x0000011C09A16110, 16 bytes long.
 Data: < &#149;&#160;	            > 00 95 A0 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000011C09A160C0, 16 bytes long.
 Data: <&#216;&#148;&#160;	            > D8 94 A0 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000011C09A16480, 16 bytes long.
 Data: <&#176;&#148;&#160;	            > B0 94 A0 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011C09A16B10, 16 bytes long.
 Data: < &#148;&#160;	            > 88 94 A0 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000011C09A16200, 16 bytes long.
 Data: <`&#148;&#160;	            > 60 94 A0 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000011C09A16BB0, 16 bytes long.
 Data: <8&#148;&#160;	            > 38 94 A0 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000011C09A0F5C0, 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 0x0000011C09A163E0, 16 bytes long.
 Data: < &#148;&#160;	            > 10 94 A0 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000011C09A09410, 320 bytes long.
 Data: <&#224;c&#161;	    &#192;&#245;&#160;	    > E0 63 A1 09 1C 01 00 00 C0 F5 A0 09 1C 01 00 00 
{277} normal block at 0x0000011C09A16070, 16 bytes long.
 Data: <`n&#161;	            > 60 6E A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000011C09A16020, 16 bytes long.
 Data: <8n&#161;	            > 38 6E A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000011C09A10280, 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 0x0000011C09A15F30, 16 bytes long.
 Data: < n&#161;	            > 10 6E A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000011C09A0FCE0, 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 0x0000011C09A16660, 16 bytes long.
 Data: <Xm&#161;	            > 58 6D A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000011C09A16B60, 16 bytes long.
 Data: <0m&#161;	            > 30 6D A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000011C09A15F80, 16 bytes long.
 Data: < m&#161;	            > 08 6D A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000011C09A15E90, 16 bytes long.
 Data: <&#224;l&#161;	            > E0 6C A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000011C09A161B0, 16 bytes long.
 Data: <&#184;l&#161;	            > B8 6C A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000011C09A16160, 16 bytes long.
 Data: < l&#161;	            > 90 6C A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000011C09A15DF0, 16 bytes long.
 Data: <&#240;R&#161;	            > F0 52 A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000011C09A152F0, 40 bytes long.
 Data: <&#240;]&#161;	    0 |     > F0 5D A1 09 1C 01 00 00 30 8F 7C 0B 1C 01 00 00 
{263} normal block at 0x0000011C09A16430, 16 bytes long.
 Data: <pl&#161;	            > 70 6C A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000011C09A15D50, 16 bytes long.
 Data: <Hl&#161;	            > 48 6C A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000011C09A10040, 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 0x0000011C09A15EE0, 16 bytes long.
 Data: < l&#161;	            > 20 6C A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000011C09A16C20, 992 bytes long.
 Data: <&#224;^&#161;	    @ &#161;	    > E0 5E A1 09 1C 01 00 00 40 00 A1 09 1C 01 00 00 
{95} normal block at 0x0000011C09A103A0, 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 0x0000011C09A0DFE0, 16 bytes long.
 Data: <&#176;T&#161;	            > B0 54 A1 09 1C 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000011C09A154B0, 40 bytes long.
 Data: <&#224;&#223;&#160;	    &#160; &#161;	    > E0 DF A0 09 1C 01 00 00 A0 03 A1 09 1C 01 00 00 
{72} normal block at 0x0000011C09A0D720, 16 bytes long.
 Data: < &#234;7&#255;&#247;           > 80 EA 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000011C09A0D9A0, 16 bytes long.
 Data: <@&#233;7&#255;&#247;           > 40 E9 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000011C09A0DE00, 16 bytes long.
 Data: <&#248;W4&#255;&#247;           > F8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000011C09A0DEF0, 16 bytes long.
 Data: <&#216;W4&#255;&#247;           > D8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000011C09A0DB80, 16 bytes long.
 Data: <P 4&#255;&#247;           > 50 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000011C09A0D680, 16 bytes long.
 Data: <0 4&#255;&#247;           > 30 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000011C09A0D770, 16 bytes long.
 Data: <&#224; 4&#255;&#247;           > E0 02 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000011C09A0E0D0, 16 bytes long.
 Data: <  4&#255;&#247;           > 10 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000011C09A0DA40, 16 bytes long.
 Data: <p 4&#255;&#247;           > 70 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000011C09A0DCC0, 16 bytes long.
 Data: < &#192;2&#255;&#247;           > 18 C0 32 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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