Task 38685714

Name test_356-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7656_0
Workunit 31627174
Created 27 Oct 2026, 22:30:58 UTC
Sent 27 Oct 2026, 22:31:11 UTC
Report deadline 1 Nov 2026, 22:31:11 UTC
Received 28 Oct 2026, 2:31:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590723
Run time 54 min 16 sec
CPU time 47 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.05 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:38:19 (12856): wrapper (7.9.26016): starting
20:38:19 (12856): 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
20:38:20 (12856): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:38:20 (12856): 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
21:31:37 (12856): C:/Windows/system32/cmd.exe exited; CPU time 2846.156250
21:31:37 (12856): 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: 49752881 bytes.
Dumping objects ->
{3835508} normal block at 0x0000013F06326BF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x0000013F06326B80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x0000013F06326B10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835475} normal block at 0x0000013F06326AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x0000013F06326C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835433} normal block at 0x0000013F081472B0, 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) : {3835420} normal block at 0x0000013F06320B50, 8 bytes long.
 Data: <  } ?   > 00 00 7D 06 3F 01 00 00 
{3833967} normal block at 0x0000013F06320740, 8 bytes long.
 Data: <ph  ?   > 70 68 1A 08 3F 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000013F063189C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000013F063193A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000013F06327E50, 16 bytes long.
 Data: <( 2 ?           > 28 88 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000013F063275E0, 16 bytes long.
 Data: <  2 ?           > 00 88 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000013F063229B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000013F06327D10, 16 bytes long.
 Data: <&#216;&#135;2 ?           > D8 87 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013F06327C70, 16 bytes long.
 Data: <&#176;&#135;2 ?           > B0 87 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013F06327D60, 16 bytes long.
 Data: < &#135;2 ?           > 88 87 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013F06327F90, 16 bytes long.
 Data: <`&#135;2 ?           > 60 87 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013F06326A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000013F06327DB0, 16 bytes long.
 Data: <&#248;&#191;1 ?           > F8 BF 31 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013F06322A70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000013F06327F40, 16 bytes long.
 Data: <&#208;&#191;1 ?           > D0 BF 31 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013F06327590, 16 bytes long.
 Data: <&#168;&#191;1 ?           > A8 BF 31 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013F06327C20, 16 bytes long.
 Data: < &#191;1 ?           > 80 BF 31 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013F063279A0, 16 bytes long.
 Data: <X&#191;1 ?           > 58 BF 31 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013F06327B80, 16 bytes long.
 Data: <0&#191;1 ?           > 30 BF 31 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013F06327950, 16 bytes long.
 Data: < &#191;1 ?           > 08 BF 31 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013F063228F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000013F06327770, 16 bytes long.
 Data: <&#224;&#190;1 ?           > E0 BE 31 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013F0631BEE0, 320 bytes long.
 Data: <pw2 ?   &#240;(2 ?   > 70 77 32 06 3F 01 00 00 F0 28 32 06 3F 01 00 00 
{279} normal block at 0x0000013F06327B30, 16 bytes long.
 Data: <@&#135;2 ?           > 40 87 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013F063277C0, 16 bytes long.
 Data: < &#135;2 ?           > 18 87 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013F06322C50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000013F06327A40, 16 bytes long.
 Data: <&#240;&#134;2 ?           > F0 86 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013F06322950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000013F06327E00, 16 bytes long.
 Data: <8&#134;2 ?           > 38 86 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013F06327900, 16 bytes long.
 Data: < &#134;2 ?           > 10 86 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013F06327720, 16 bytes long.
 Data: <&#232;&#133;2 ?           > E8 85 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013F06327A90, 16 bytes long.
 Data: <&#192;&#133;2 ?           > C0 85 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013F06327860, 16 bytes long.
 Data: < &#133;2 ?           > 98 85 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013F063278B0, 16 bytes long.
 Data: <p&#133;2 ?           > 70 85 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013F06328490, 16 bytes long.
 Data: <@m2 ?           > 40 6D 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013F06326D40, 40 bytes long.
 Data: < &#132;2 ?   &#176;r  ?   > 90 84 32 06 3F 01 00 00 B0 72 14 08 3F 01 00 00 
{265} normal block at 0x0000013F063279F0, 16 bytes long.
 Data: <P&#133;2 ?           > 50 85 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013F06328260, 16 bytes long.
 Data: <(&#133;2 ?           > 28 85 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013F06322230, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000013F06327540, 16 bytes long.
 Data: < &#133;2 ?           > 00 85 32 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013F06328500, 992 bytes long.
 Data: <@u2 ?   0"2 ?   > 40 75 32 06 3F 01 00 00 30 22 32 06 3F 01 00 00 
{97} normal block at 0x0000013F063221D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000013F06320B00, 16 bytes long.
 Data: < &#221;0 ?           > 90 DD 30 06 3F 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000013F0630DD90, 40 bytes long.
 Data: <  2 ?   &#208;!2 ?   > 00 0B 32 06 3F 01 00 00 D0 21 32 06 3F 01 00 00 
{74} normal block at 0x0000013F06320650, 16 bytes long.
 Data: < &#234;&#160;&#176;&#246;           > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000013F06320510, 16 bytes long.
 Data: <@&#233;&#160;&#176;&#246;           > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000013F06320BF0, 16 bytes long.
 Data: <&#248;W &#176;&#246;           > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000013F06320330, 16 bytes long.
 Data: <&#216;W &#176;&#246;           > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013F063206F0, 16 bytes long.
 Data: <P  &#176;&#246;           > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013F063203D0, 16 bytes long.
 Data: <0  &#176;&#246;           > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013F06320FB0, 16 bytes long.
 Data: <&#224;  &#176;&#246;           > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013F06320600, 16 bytes long.
 Data: <   &#176;&#246;           > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013F06320C90, 16 bytes long.
 Data: <p  &#176;&#246;           > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013F06320A10, 16 bytes long.
 Data: < &#192;&#155;&#176;&#246;           > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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