Task 38687832

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3331_0
Workunit 31629209
Created 28 Oct 2026, 10:03:32 UTC
Sent 28 Oct 2026, 10:03:37 UTC
Report deadline 2 Nov 2026, 10:03:37 UTC
Received 28 Oct 2026, 10:39:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 35 min 12 sec
CPU time 34 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.59 MB
Peak swap size 12.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:04:41 (19240): wrapper (7.9.26016): starting
05:04:41 (19240): 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
05:04:42 (19240): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:04:42 (19240): 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\33\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\33\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
05:39:04 (19240): C:/Windows/system32/cmd.exe exited; CPU time 2072.171875
05:39:04 (19240): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 32081543 bytes.
Dumping objects ->
{3835561} normal block at 0x000001B32A95B830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x000001B32A95B7C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001B32A95B590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x000001B32A95BDE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x000001B32A95B750, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x000001B32C757790, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001B32C770A90, 102 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) : {3835472} normal block at 0x000001B32A930E40, 8 bytes long.
 Data: <  &#232;*&#179;   > 00 00 E8 2A B3 01 00 00 
{3834694} normal block at 0x000001B32C771010, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001B32A931890, 8 bytes long.
 Data: <&#176;&#198;v,&#179;   > B0 C6 76 2C B3 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001B32A92C570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B32A925A10, 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 0x000001B32A938300, 16 bytes long.
 Data: <x&#146;&#147;*&#179;           > 78 92 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B32A938C10, 16 bytes long.
 Data: <P&#146;&#147;*&#179;           > 50 92 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B32A933F20, 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 0x000001B32A938B70, 16 bytes long.
 Data: <(&#146;&#147;*&#179;           > 28 92 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B32A9388F0, 16 bytes long.
 Data: < &#146;&#147;*&#179;           > 00 92 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B32A938530, 16 bytes long.
 Data: <&#216;&#145;&#147;*&#179;           > D8 91 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B32A9382B0, 16 bytes long.
 Data: <&#176;&#145;&#147;*&#179;           > B0 91 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B32A932EF0, 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 0x000001B32A937F90, 16 bytes long.
 Data: < O&#146;*&#179;           > 88 4F 92 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B32A9346A0, 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 0x000001B32A938A30, 16 bytes long.
 Data: <`O&#146;*&#179;           > 60 4F 92 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B32A938D00, 16 bytes long.
 Data: <8O&#146;*&#179;           > 38 4F 92 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B32A938B20, 16 bytes long.
 Data: < O&#146;*&#179;           > 10 4F 92 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B32A9388A0, 16 bytes long.
 Data: <&#232;N&#146;*&#179;           > E8 4E 92 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B32A938EE0, 16 bytes long.
 Data: <&#192;N&#146;*&#179;           > C0 4E 92 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B32A938BC0, 16 bytes long.
 Data: < N&#146;*&#179;           > 98 4E 92 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B32A9345E0, 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 0x000001B32A938E40, 16 bytes long.
 Data: <pN&#146;*&#179;           > 70 4E 92 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B32A924E70, 320 bytes long.
 Data: <@&#142;&#147;*&#179;   &#224;E&#147;*&#179;   > 40 8E 93 2A B3 01 00 00 E0 45 93 2A B3 01 00 00 
{275} normal block at 0x000001B32A938620, 16 bytes long.
 Data: < &#145;&#147;*&#179;           > 90 91 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B32A938CB0, 16 bytes long.
 Data: <h&#145;&#147;*&#179;           > 68 91 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B32A934B20, 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 0x000001B32A938C60, 16 bytes long.
 Data: <@&#145;&#147;*&#179;           > 40 91 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B32A934A60, 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 0x000001B32A9383A0, 16 bytes long.
 Data: <  &#147;*&#179;           > 88 90 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B32A938940, 16 bytes long.
 Data: <` &#147;*&#179;           > 60 90 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B32A938080, 16 bytes long.
 Data: <8 &#147;*&#179;           > 38 90 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B32A9387B0, 16 bytes long.
 Data: <  &#147;*&#179;           > 10 90 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B32A938490, 16 bytes long.
 Data: <&#232; &#147;*&#179;           > E8 8F 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B32A938DF0, 16 bytes long.
 Data: <&#192; &#147;*&#179;           > C0 8F 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B32A9389E0, 16 bytes long.
 Data: <&#224;+&#147;*&#179;           > E0 2B 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B32A932BE0, 40 bytes long.
 Data: <&#224;&#137;&#147;*&#179;    wu,&#179;   > E0 89 93 2A B3 01 00 00 90 77 75 2C B3 01 00 00 
{261} normal block at 0x000001B32A9385D0, 16 bytes long.
 Data: <&#160; &#147;*&#179;           > A0 8F 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B32A938440, 16 bytes long.
 Data: <x &#147;*&#179;           > 78 8F 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B32A934DC0, 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 0x000001B32A9383F0, 16 bytes long.
 Data: <P &#147;*&#179;           > 50 8F 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B32A938F50, 992 bytes long.
 Data: <&#240;&#131;&#147;*&#179;   &#192;M&#147;*&#179;   > F0 83 93 2A B3 01 00 00 C0 4D 93 2A B3 01 00 00 
{93} normal block at 0x000001B32A9343A0, 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 0x000001B32A931AC0, 16 bytes long.
 Data: < .&#147;*&#179;           > 10 2E 93 2A B3 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001B32A932E10, 40 bytes long.
 Data: <&#192; &#147;*&#179;   &#160;C&#147;*&#179;   > C0 1A 93 2A B3 01 00 00 A0 43 93 2A B3 01 00 00 
{70} normal block at 0x000001B32A931840, 16 bytes long.
 Data: < &#234; =&#246;           > 80 EA 03 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B32A9317A0, 16 bytes long.
 Data: <@&#233; =&#246;           > 40 E9 03 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B32A931610, 16 bytes long.
 Data: <&#248;W =&#246;           > F8 57 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B32A9312F0, 16 bytes long.
 Data: <&#216;W =&#246;           > D8 57 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B32A930E90, 16 bytes long.
 Data: <P  =&#246;           > 50 04 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B32A930C60, 16 bytes long.
 Data: <0  =&#246;           > 30 04 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B32A9316B0, 16 bytes long.
 Data: <&#224;  =&#246;           > E0 02 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B32A931200, 16 bytes long.
 Data: <   =&#246;           > 10 04 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B32A931160, 16 bytes long.
 Data: <p  =&#246;           > 70 04 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B32A9311B0, 16 bytes long.
 Data: < &#192;&#254;<&#246;           > 18 C0 FE 3C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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