Task 38670229

Name test_2-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3047_1
Workunit 31612336
Created 25 Oct 2026, 16:51:01 UTC
Sent 25 Oct 2026, 16:51:05 UTC
Report deadline 30 Oct 2026, 16:51:05 UTC
Received 25 Oct 2026, 17:55:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648105
Run time 40 min 1 sec
CPU time 40 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 653.50 MB
Peak swap size 2.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
13:09:33 (38572): wrapper (7.9.26016): starting
13:09:33 (38572): 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
13:09:35 (38572): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:09:35 (38572): 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\1\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\1\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
13:54:47 (38572): C:/Windows/system32/cmd.exe exited; CPU time 2401.359375
13:54:47 (38572): 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: 65402377 bytes.
Dumping objects ->
{3835277} normal block at 0x000002363C9FD290, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000002363C9FD060, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002363C9FCCE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000002363C9FC960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002363C9FCFF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000002363E42EA10, 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) : {3835189} normal block at 0x000002363C9CC860, 8 bytes long.
 Data: <  &#154;<6   > 00 00 9A 3C 36 02 00 00 
{3833987} normal block at 0x000002363C9CC900, 8 bytes long.
 Data: < &#202;V>6   > 00 CA 56 3E 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000002363C9D3A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000002363C9C6800, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000002363C9D87C0, 16 bytes long.
 Data: < &#148; <6           > 08 94 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002363C9D7FF0, 16 bytes long.
 Data: <&#224;&#147; <6           > E0 93 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002363C9D1E10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000002363C9D89A0, 16 bytes long.
 Data: <&#184;&#147; <6           > B8 93 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002363C9D8310, 16 bytes long.
 Data: < &#147; <6           > 90 93 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002363C9D82C0, 16 bytes long.
 Data: <h&#147; <6           > 68 93 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002363C9D81D0, 16 bytes long.
 Data: <@&#147; <6           > 40 93 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002363C9D4AD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000002363C9D7E10, 16 bytes long.
 Data: <h &#156;<6           > 68 81 9C 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002363C9D18D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000002363C9D8270, 16 bytes long.
 Data: <@ &#156;<6           > 40 81 9C 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002363C9D85E0, 16 bytes long.
 Data: <  &#156;<6           > 18 81 9C 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002363C9D7F50, 16 bytes long.
 Data: <&#240; &#156;<6           > F0 80 9C 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002363C9D7EB0, 16 bytes long.
 Data: <&#200; &#156;<6           > C8 80 9C 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002363C9D84A0, 16 bytes long.
 Data: <&#160; &#156;<6           > A0 80 9C 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002363C9D83B0, 16 bytes long.
 Data: <x &#156;<6           > 78 80 9C 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002363C9D1450, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000002363C9D7F00, 16 bytes long.
 Data: <P &#156;<6           > 50 80 9C 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002363C9C8050, 320 bytes long.
 Data: <   <6   P  <6   > 00 7F 9D 3C 36 02 00 00 50 14 9D 3C 36 02 00 00 
{289} normal block at 0x000002363C9D8900, 16 bytes long.
 Data: < &#147; <6           > 20 93 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002363C9D7D20, 16 bytes long.
 Data: <&#248;&#146; <6           > F8 92 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002363C9D1B70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000002363C9D8630, 16 bytes long.
 Data: <&#208;&#146; <6           > D0 92 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002363C9D1B10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000002363C9D8C20, 16 bytes long.
 Data: < &#146; <6           > 18 92 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002363C9D8B80, 16 bytes long.
 Data: <&#240;&#145; <6           > F0 91 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002363C9D8180, 16 bytes long.
 Data: <&#200;&#145; <6           > C8 91 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002363C9D8C70, 16 bytes long.
 Data: <&#160;&#145; <6           > A0 91 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002363C9D7FA0, 16 bytes long.
 Data: <x&#145; <6           > 78 91 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002363C9D8450, 16 bytes long.
 Data: <P&#145; <6           > 50 91 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002363C9D84F0, 16 bytes long.
 Data: <&#192;G <6           > C0 47 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002363C9D47C0, 40 bytes long.
 Data: <&#240;&#132; <6    &#234;B>6   > F0 84 9D 3C 36 02 00 00 10 EA 42 3E 36 02 00 00 
{275} normal block at 0x000002363C9D7DC0, 16 bytes long.
 Data: <0&#145; <6           > 30 91 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002363C9D8BD0, 16 bytes long.
 Data: < &#145; <6           > 08 91 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002363C9D14B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000002363C9D89F0, 16 bytes long.
 Data: <&#224;  <6           > E0 90 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002363C9D90E0, 992 bytes long.
 Data: <&#240;&#137; <6   &#176;  <6   > F0 89 9D 3C 36 02 00 00 B0 14 9D 3C 36 02 00 00 
{107} normal block at 0x000002363C9D16F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000002363C9CC720, 16 bytes long.
 Data: <PG <6           > 50 47 9D 3C 36 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000002363C9D4750, 40 bytes long.
 Data: < &#199;&#156;<6   &#240;  <6   > 20 C7 9C 3C 36 02 00 00 F0 16 9D 3C 36 02 00 00 
{84} normal block at 0x000002363C9CC4A0, 16 bytes long.
 Data: < &#234;&#133;&#236;&#246;           > 80 EA 85 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002363C9CCDB0, 16 bytes long.
 Data: <@&#233;&#133;&#236;&#246;           > 40 E9 85 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002363C9CD030, 16 bytes long.
 Data: <&#248;W&#130;&#236;&#246;           > F8 57 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002363C9CCCC0, 16 bytes long.
 Data: <&#216;W&#130;&#236;&#246;           > D8 57 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002363C9CCC20, 16 bytes long.
 Data: <P &#130;&#236;&#246;           > 50 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002363C9CCD60, 16 bytes long.
 Data: <0 &#130;&#236;&#246;           > 30 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002363C9CC9A0, 16 bytes long.
 Data: <&#224; &#130;&#236;&#246;           > E0 02 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002363C9CCE50, 16 bytes long.
 Data: <  &#130;&#236;&#246;           > 10 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002363C9CC400, 16 bytes long.
 Data: <p &#130;&#236;&#246;           > 70 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002363C9CCC70, 16 bytes long.
 Data: < &#192; &#236;&#246;           > 18 C0 80 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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