Task 38670052

Name test_155-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND7026_0
Workunit 31612335
Created 25 Oct 2026, 16:20:52 UTC
Sent 25 Oct 2026, 16:20:54 UTC
Report deadline 30 Oct 2026, 16:20:54 UTC
Received 25 Oct 2026, 16:43:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648025
Run time 17 min 41 sec
CPU time 16 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 46,380.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.84 MB
Peak swap size 9.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:25:23 (5312): wrapper (7.9.26016): starting
12:25:23 (5312): 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
12:25:24 (5312): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:25:24 (5312): 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
12:42:20 (5312): C:/Windows/system32/cmd.exe exited; CPU time 1002.453125
12:42:20 (5312): 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: 20006365 bytes.
Dumping objects ->
{3835270} normal block at 0x0000025D18C9D350, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000025D16EC4A50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000025D16EC4970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000025D16EC4900, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000025D16EC49E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000025D18CE9E30, 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) : {3835182} normal block at 0x0000025D16EBEA00, 8 bytes long.
 Data: <  &#228; ]   > 00 00 E4 16 5D 02 00 00 
{3833955} normal block at 0x0000025D16EBE9B0, 8 bytes long.
 Data: <&#240;'&#215; ]   > F0 27 D7 18 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000025D16EC0160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025D16EB5770, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000025D16EC5730, 16 bytes long.
 Data: <h`&#236; ]           > 68 60 EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025D16EC5A50, 16 bytes long.
 Data: <@`&#236; ]           > 40 60 EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025D16EBF430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000025D16EC5AA0, 16 bytes long.
 Data: < `&#236; ]           > 18 60 EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025D16EC5A00, 16 bytes long.
 Data: <&#240;_&#236; ]           > F0 5F EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025D16EC5B40, 16 bytes long.
 Data: <&#200;_&#236; ]           > C8 5F EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025D16EC53C0, 16 bytes long.
 Data: <&#160;_&#236; ]           > A0 5F EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025D16EC4AC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000025D16EC5870, 16 bytes long.
 Data: <  &#235; ]           > 18 00 EB 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025D16EBF310, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000025D16EC5000, 16 bytes long.
 Data: <&#240;&#255;&#234; ]           > F0 FF EA 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025D16EC5960, 16 bytes long.
 Data: <&#200;&#255;&#234; ]           > C8 FF EA 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025D16EC5690, 16 bytes long.
 Data: <&#160;&#255;&#234; ]           > A0 FF EA 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025D16EC55F0, 16 bytes long.
 Data: <x&#255;&#234; ]           > 78 FF EA 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025D16EC55A0, 16 bytes long.
 Data: <P&#255;&#234; ]           > 50 FF EA 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025D16EC5C80, 16 bytes long.
 Data: <(&#255;&#234; ]           > 28 FF EA 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025D16EBFD30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000025D16EC4DD0, 16 bytes long.
 Data: < &#255;&#234; ]           > 00 FF EA 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025D16EAFF00, 320 bytes long.
 Data: <&#208;M&#236; ]   0&#253;&#235; ]   > D0 4D EC 16 5D 02 00 00 30 FD EB 16 5D 02 00 00 
{273} normal block at 0x0000025D16EC5BE0, 16 bytes long.
 Data: < _&#236; ]           > 80 5F EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025D16EC4FB0, 16 bytes long.
 Data: <X_&#236; ]           > 58 5F EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025D16EBF2B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000025D16EC5230, 16 bytes long.
 Data: <0_&#236; ]           > 30 5F EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025D16EBFD90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000025D16EC5910, 16 bytes long.
 Data: <x^&#236; ]           > 78 5E EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025D16EC4D80, 16 bytes long.
 Data: <P^&#236; ]           > 50 5E EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025D16EC5280, 16 bytes long.
 Data: <(^&#236; ]           > 28 5E EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025D16EC5550, 16 bytes long.
 Data: < ^&#236; ]           > 00 5E EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025D16EC5500, 16 bytes long.
 Data: <&#216;]&#236; ]           > D8 5D EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025D16EC4EC0, 16 bytes long.
 Data: <&#176;]&#236; ]           > B0 5D EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025D16EC5B90, 16 bytes long.
 Data: <&#240;E&#236; ]           > F0 45 EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025D16EC45F0, 40 bytes long.
 Data: < [&#236; ]   0&#158;&#206; ]   > 90 5B EC 16 5D 02 00 00 30 9E CE 18 5D 02 00 00 
{259} normal block at 0x0000025D16EC4F10, 16 bytes long.
 Data: < ]&#236; ]           > 90 5D EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025D16EC5640, 16 bytes long.
 Data: <h]&#236; ]           > 68 5D EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025D16EBF550, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000025D16EC54B0, 16 bytes long.
 Data: <@]&#236; ]           > 40 5D EC 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025D16EC5D40, 992 bytes long.
 Data: <&#176;T&#236; ]   P&#245;&#235; ]   > B0 54 EC 16 5D 02 00 00 50 F5 EB 16 5D 02 00 00 
{91} normal block at 0x0000025D16EBFCD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000025D16EBE000, 16 bytes long.
 Data: < &#221;&#234; ]           > 10 DD EA 16 5D 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000025D16EADD10, 40 bytes long.
 Data: < &#224;&#235; ]   &#208;&#252;&#235; ]   > 00 E0 EB 16 5D 02 00 00 D0 FC EB 16 5D 02 00 00 
{68} normal block at 0x0000025D16EBEAA0, 16 bytes long.
 Data: < &#234;+d&#246;           > 80 EA 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025D16EBEC30, 16 bytes long.
 Data: <@&#233;+d&#246;           > 40 E9 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025D16EBEB90, 16 bytes long.
 Data: <&#248;W(d&#246;           > F8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025D16EBE910, 16 bytes long.
 Data: <&#216;W(d&#246;           > D8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025D16EBE410, 16 bytes long.
 Data: <P (d&#246;           > 50 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025D16EBE7D0, 16 bytes long.
 Data: <0 (d&#246;           > 30 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025D16EBEF00, 16 bytes long.
 Data: <&#224; (d&#246;           > E0 02 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025D16EBEA50, 16 bytes long.
 Data: <  (d&#246;           > 10 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025D16EBE640, 16 bytes long.
 Data: <p (d&#246;           > 70 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025D16EBE870, 16 bytes long.
 Data: < &#192;&d&#246;           > 18 C0 26 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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