Task 38655127

Name test_342-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND0946_0
Workunit 31598905
Created 24 Oct 2026, 8:27:29 UTC
Sent 24 Oct 2026, 8:27:48 UTC
Report deadline 29 Oct 2026, 8:27:48 UTC
Received 24 Oct 2026, 9:45:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646373
Run time 31 min 39 sec
CPU time 29 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.98 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:36:28 (21620): wrapper (7.9.26016): starting
04:36:28 (21620): 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
04:36:30 (21620): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:36:30 (21620): 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
05:07:42 (21620): C:/Windows/system32/cmd.exe exited; CPU time 1752.062500
05:07:42 (21620): 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: 28232079 bytes.
Dumping objects ->
{3835514} normal block at 0x000001EDD76C45D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000001EDD76C4410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x000001EDD76C4560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835481} normal block at 0x000001EDD76C4720, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x000001EDD76C43A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835439} normal block at 0x000001EDD94548C0, 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) : {3835426} normal block at 0x000001EDD76BED20, 8 bytes long.
 Data: <  &#209;&#215;&#237;   > 00 00 D1 D7 ED 01 00 00 
{3833959} normal block at 0x000001EDD76BEAA0, 8 bytes long.
 Data: < FK&#217;&#237;   > 20 46 4B D9 ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EDD76C0C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EDD76B5FC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001EDD76C52F0, 16 bytes long.
 Data: <Hdl&#215;&#237;           > 48 64 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EDD76C5DE0, 16 bytes long.
 Data: < dl&#215;&#237;           > 20 64 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EDD76BF530, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001EDD76C5200, 16 bytes long.
 Data: <&#248;cl&#215;&#237;           > F8 63 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EDD76C5D90, 16 bytes long.
 Data: <&#208;cl&#215;&#237;           > D0 63 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EDD76C5D40, 16 bytes long.
 Data: <&#168;cl&#215;&#237;           > A8 63 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EDD76C5840, 16 bytes long.
 Data: < cl&#215;&#237;           > 80 63 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EDD76C49C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001EDD76C51B0, 16 bytes long.
 Data: <&#200; k&#215;&#237;           > C8 8D 6B D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EDD76BFF50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001EDD76C56B0, 16 bytes long.
 Data: <&#160; k&#215;&#237;           > A0 8D 6B D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EDD76C5CF0, 16 bytes long.
 Data: <x k&#215;&#237;           > 78 8D 6B D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EDD76C5CA0, 16 bytes long.
 Data: <P k&#215;&#237;           > 50 8D 6B D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EDD76C5660, 16 bytes long.
 Data: <( k&#215;&#237;           > 28 8D 6B D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EDD76C5570, 16 bytes long.
 Data: <  k&#215;&#237;           > 00 8D 6B D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EDD76C60B0, 16 bytes long.
 Data: <&#216;&#140;k&#215;&#237;           > D8 8C 6B D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EDD76BF830, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001EDD76C6060, 16 bytes long.
 Data: <&#176;&#140;k&#215;&#237;           > B0 8C 6B D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EDD76B8CB0, 320 bytes long.
 Data: <``l&#215;&#237;   0&#248;k&#215;&#237;   > 60 60 6C D7 ED 01 00 00 30 F8 6B D7 ED 01 00 00 
{275} normal block at 0x000001EDD76C54D0, 16 bytes long.
 Data: <`cl&#215;&#237;           > 60 63 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EDD76C6010, 16 bytes long.
 Data: <8cl&#215;&#237;           > 38 63 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EDD76BFE90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001EDD76C52A0, 16 bytes long.
 Data: < cl&#215;&#237;           > 10 63 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EDD76C0190, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001EDD76C5B10, 16 bytes long.
 Data: <Xbl&#215;&#237;           > 58 62 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EDD76C5BB0, 16 bytes long.
 Data: <0bl&#215;&#237;           > 30 62 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EDD76C57F0, 16 bytes long.
 Data: < bl&#215;&#237;           > 08 62 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EDD76C5FC0, 16 bytes long.
 Data: <&#224;al&#215;&#237;           > E0 61 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EDD76C5F70, 16 bytes long.
 Data: <&#184;al&#215;&#237;           > B8 61 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EDD76C5C50, 16 bytes long.
 Data: < al&#215;&#237;           > 90 61 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EDD76C5C00, 16 bytes long.
 Data: <&#224;Hl&#215;&#237;           > E0 48 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EDD76C48E0, 40 bytes long.
 Data: < \l&#215;&#237;   &#192;HE&#217;&#237;   > 00 5C 6C D7 ED 01 00 00 C0 48 45 D9 ED 01 00 00 
{261} normal block at 0x000001EDD76C5B60, 16 bytes long.
 Data: <pal&#215;&#237;           > 70 61 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EDD76C5480, 16 bytes long.
 Data: <Hal&#215;&#237;           > 48 61 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EDD76C0310, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001EDD76C5AC0, 16 bytes long.
 Data: < al&#215;&#237;           > 20 61 6C D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EDD76C6120, 992 bytes long.
 Data: <&#192;Zl&#215;&#237;     l&#215;&#237;   > C0 5A 6C D7 ED 01 00 00 10 03 6C D7 ED 01 00 00 
{93} normal block at 0x000001EDD76BFD70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001EDD76BEA50, 16 bytes long.
 Data: < &#238;j&#215;&#237;           > 90 EE 6A D7 ED 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001EDD76AEE90, 40 bytes long.
 Data: <P&#234;k&#215;&#237;   p&#253;k&#215;&#237;   > 50 EA 6B D7 ED 01 00 00 70 FD 6B D7 ED 01 00 00 
{70} normal block at 0x000001EDD76BE960, 16 bytes long.
 Data: < &#234;&#229;x&#246;           > 80 EA E5 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EDD76BF220, 16 bytes long.
 Data: <@&#233;&#229;x&#246;           > 40 E9 E5 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EDD76BEE10, 16 bytes long.
 Data: <&#248;W&#226;x&#246;           > F8 57 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EDD76BE690, 16 bytes long.
 Data: <&#216;W&#226;x&#246;           > D8 57 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EDD76BE8C0, 16 bytes long.
 Data: <P &#226;x&#246;           > 50 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EDD76BE640, 16 bytes long.
 Data: <0 &#226;x&#246;           > 30 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EDD76BE910, 16 bytes long.
 Data: <&#224; &#226;x&#246;           > E0 02 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EDD76BEF50, 16 bytes long.
 Data: <  &#226;x&#246;           > 10 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EDD76BEB90, 16 bytes long.
 Data: <p &#226;x&#246;           > 70 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EDD76BE550, 16 bytes long.
 Data: < &#192;&#224;x&#246;           > 18 C0 E0 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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