Task 38681851

Name test_82-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1747_0
Workunit 31623496
Created 27 Oct 2026, 5:37:31 UTC
Sent 27 Oct 2026, 5:37:35 UTC
Report deadline 1 Nov 2026, 5:37:35 UTC
Received 27 Oct 2026, 7:13:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 32 min
CPU time 27 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,472.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.93 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:41:46 (11836): wrapper (7.9.26016): starting
02:41:46 (11836): 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
02:41:48 (11836): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:41:48 (11836): 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\30\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\30\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
03:12:32 (11836): C:/Windows/system32/cmd.exe exited; CPU time 1650.234375
03:12:32 (11836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 32222185 bytes.
Dumping objects ->
{3835536} normal block at 0x0000018D7CB58E50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000018D7AE84610, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000018D7AE84BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835503} normal block at 0x0000018D7AE84A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000018D7AE84760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835461} normal block at 0x0000018D7CB69400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x0000018D7AEE9CE0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835447} normal block at 0x0000018D7AE7F040, 8 bytes long.
 Data: <  &#224;z    > 00 00 E0 7A 8D 01 00 00 
{3834695} normal block at 0x0000018D7AEEA360, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000018D7AE7E9B0, 8 bytes long.
 Data: < z&#181;|    > 00 7A B5 7C 8D 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000018D7AE81150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018D7AE77240, 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 0x0000018D7AE852D0, 16 bytes long.
 Data: <(d&#232;z            > 28 64 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018D7AE85D20, 16 bytes long.
 Data: < d&#232;z            > 00 64 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018D7AE7FDE0, 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 0x0000018D7AE85230, 16 bytes long.
 Data: <&#216;c&#232;z            > D8 63 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018D7AE855F0, 16 bytes long.
 Data: <&#176;c&#232;z            > B0 63 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018D7AE85730, 16 bytes long.
 Data: < c&#232;z            > 88 63 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018D7AE85EB0, 16 bytes long.
 Data: <`c&#232;z            > 60 63 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018D7AE84C30, 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 0x0000018D7AE85FF0, 16 bytes long.
 Data: <&#168; &#231;z            > A8 8D E7 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018D7AE7FBA0, 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 0x0000018D7AE859B0, 16 bytes long.
 Data: <  &#231;z            > 80 8D E7 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018D7AE85280, 16 bytes long.
 Data: <X &#231;z            > 58 8D E7 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018D7AE85690, 16 bytes long.
 Data: <0 &#231;z            > 30 8D E7 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018D7AE85D70, 16 bytes long.
 Data: <  &#231;z            > 08 8D E7 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018D7AE85FA0, 16 bytes long.
 Data: <&#224;&#140;&#231;z            > E0 8C E7 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018D7AE85E10, 16 bytes long.
 Data: <&#184;&#140;&#231;z            > B8 8C E7 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018D7AE7F840, 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 0x0000018D7AE855A0, 16 bytes long.
 Data: < &#140;&#231;z            > 90 8C E7 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018D7AE78C90, 320 bytes long.
 Data: <&#160;U&#232;z    @&#248;&#231;z    > A0 55 E8 7A 8D 01 00 00 40 F8 E7 7A 8D 01 00 00 
{277} normal block at 0x0000018D7AE85F50, 16 bytes long.
 Data: <@c&#232;z            > 40 63 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018D7AE85F00, 16 bytes long.
 Data: < c&#232;z            > 18 63 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018D7AE7FEA0, 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 0x0000018D7AE85550, 16 bytes long.
 Data: <&#240;b&#232;z            > F0 62 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018D7AE7F7E0, 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 0x0000018D7AE85190, 16 bytes long.
 Data: <8b&#232;z            > 38 62 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018D7AE85500, 16 bytes long.
 Data: < b&#232;z            > 10 62 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018D7AE851E0, 16 bytes long.
 Data: <&#232;a&#232;z            > E8 61 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018D7AE85E60, 16 bytes long.
 Data: <&#192;a&#232;z            > C0 61 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018D7AE85C80, 16 bytes long.
 Data: < a&#232;z            > 98 61 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018D7AE85960, 16 bytes long.
 Data: <pa&#232;z            > 70 61 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018D7AE86090, 16 bytes long.
 Data: <&#176;H&#232;z            > B0 48 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018D7AE848B0, 40 bytes long.
 Data: < `&#232;z     &#148;&#182;|    > 90 60 E8 7A 8D 01 00 00 00 94 B6 7C 8D 01 00 00 
{263} normal block at 0x0000018D7AE85140, 16 bytes long.
 Data: <Pa&#232;z            > 50 61 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018D7AE85640, 16 bytes long.
 Data: <(a&#232;z            > 28 61 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018D7AE7F600, 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 0x0000018D7AE854B0, 16 bytes long.
 Data: < a&#232;z            > 00 61 E8 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018D7AE86100, 992 bytes long.
 Data: <&#176;T&#232;z     &#246;&#231;z    > B0 54 E8 7A 8D 01 00 00 00 F6 E7 7A 8D 01 00 00 
{95} normal block at 0x0000018D7AE80380, 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 0x0000018D7AE7EE60, 16 bytes long.
 Data: < &#221;&#230;z            > 10 DD E6 7A 8D 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000018D7AE6DD10, 40 bytes long.
 Data: <`&#238;&#231;z      &#232;z    > 60 EE E7 7A 8D 01 00 00 80 03 E8 7A 8D 01 00 00 
{72} normal block at 0x0000018D7AE7E820, 16 bytes long.
 Data: < &#234;&#215;&#243;&#246;           > 80 EA D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018D7AE7E6E0, 16 bytes long.
 Data: <@&#233;&#215;&#243;&#246;           > 40 E9 D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018D7AE7E690, 16 bytes long.
 Data: <&#248;W&#212;&#243;&#246;           > F8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018D7AE7E780, 16 bytes long.
 Data: <&#216;W&#212;&#243;&#246;           > D8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018D7AE7E730, 16 bytes long.
 Data: <P &#212;&#243;&#246;           > 50 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018D7AE7E910, 16 bytes long.
 Data: <0 &#212;&#243;&#246;           > 30 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018D7AE7E640, 16 bytes long.
 Data: <&#224; &#212;&#243;&#246;           > E0 02 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018D7AE7E5F0, 16 bytes long.
 Data: <  &#212;&#243;&#246;           > 10 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018D7AE7F270, 16 bytes long.
 Data: <p &#212;&#243;&#246;           > 70 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018D7AE7F540, 16 bytes long.
 Data: < &#192;&#210;&#243;&#246;           > 18 C0 D2 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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