Task 38687314

Name test_80-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6853_0
Workunit 31628707
Created 28 Oct 2026, 7:06:09 UTC
Sent 28 Oct 2026, 7:06:17 UTC
Report deadline 2 Nov 2026, 7:06:17 UTC
Received 28 Oct 2026, 8:17:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 23 sec
CPU time 32 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.14 MB
Peak swap size 8.47 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:43:22 (16720): wrapper (7.9.26016): starting
08:43:22 (16720): 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
08:43:24 (16720): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:43:24 (16720): 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 'D:\Boinc_data\slots\4\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 'D:\Boinc_data\slots\4\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
09:17:00 (16720): C:/Windows/system32/cmd.exe exited; CPU time 1929.046875
09:17:00 (16720): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 44947249 bytes.
Dumping objects ->
{3835307} normal block at 0x000002DEAA396610, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x000002DEAC0B5EF0, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x000002DEAC0B5CB0, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x000002DEAC0B5B30, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x000002DEAC0B6010, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x000002DEAA3965A0, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x000002DEAC07E450, 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) : {3835218} normal block at 0x000002DEAA367250, 8 bytes long.
 Data: <  .&#170;&#222;   > 00 00 2E AA DE 02 00 00 
{3834570} normal block at 0x000002DEAC07E3A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002DEAA3678E0, 8 bytes long.
 Data: <&#240;f &#172;&#222;   > F0 66 13 AC DE 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002DEAA371A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002DEAA36D660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002DEAA372FC0, 16 bytes long.
 Data: <&#168;A7&#170;&#222;           > A8 41 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002DEAA3734C0, 16 bytes long.
 Data: < A7&#170;&#222;           > 80 41 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002DEAA36C720, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002DEAA372F20, 16 bytes long.
 Data: <XA7&#170;&#222;           > 58 41 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002DEAA3731F0, 16 bytes long.
 Data: <0A7&#170;&#222;           > 30 41 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002DEAA372ED0, 16 bytes long.
 Data: < A7&#170;&#222;           > 08 41 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002DEAA3739C0, 16 bytes long.
 Data: <&#224;@7&#170;&#222;           > E0 40 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002DEAA36DAF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002DEAA372BB0, 16 bytes long.
 Data: <X)7&#170;&#222;           > 58 29 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002DEAA36C1E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002DEAA3731A0, 16 bytes long.
 Data: <0)7&#170;&#222;           > 30 29 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002DEAA372E80, 16 bytes long.
 Data: < )7&#170;&#222;           > 08 29 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002DEAA372F70, 16 bytes long.
 Data: <&#224;(7&#170;&#222;           > E0 28 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002DEAA3738D0, 16 bytes long.
 Data: <&#184;(7&#170;&#222;           > B8 28 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002DEAA372B60, 16 bytes long.
 Data: < (7&#170;&#222;           > 90 28 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002DEAA372E30, 16 bytes long.
 Data: <h(7&#170;&#222;           > 68 28 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002DEAA36C660, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002DEAA373100, 16 bytes long.
 Data: <@(7&#170;&#222;           > 40 28 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002DEAA372840, 320 bytes long.
 Data: < 17&#170;&#222;   `&#198;6&#170;&#222;   > 00 31 37 AA DE 02 00 00 60 C6 36 AA DE 02 00 00 
{274} normal block at 0x000002DEAA372D90, 16 bytes long.
 Data: <&#192;@7&#170;&#222;           > C0 40 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002DEAA3737E0, 16 bytes long.
 Data: < @7&#170;&#222;           > 98 40 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002DEAA36C0C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002DEAA3732E0, 16 bytes long.
 Data: <p@7&#170;&#222;           > 70 40 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002DEAA36BF40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002DEAA3733D0, 16 bytes long.
 Data: <&#184;?7&#170;&#222;           > B8 3F 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002DEAA3730B0, 16 bytes long.
 Data: < ?7&#170;&#222;           > 90 3F 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002DEAA373970, 16 bytes long.
 Data: <h?7&#170;&#222;           > 68 3F 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002DEAA373600, 16 bytes long.
 Data: <@?7&#170;&#222;           > 40 3F 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002DEAA373380, 16 bytes long.
 Data: < ?7&#170;&#222;           > 18 3F 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002DEAA373290, 16 bytes long.
 Data: <&#240;>7&#170;&#222;           > F0 3E 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002DEAA372B10, 16 bytes long.
 Data: <@&#220;6&#170;&#222;           > 40 DC 36 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002DEAA36DC40, 40 bytes long.
 Data: < +7&#170;&#222;   &#160;e9&#170;&#222;   > 10 2B 37 AA DE 02 00 00 A0 65 39 AA DE 02 00 00 
{260} normal block at 0x000002DEAA373740, 16 bytes long.
 Data: <&#208;>7&#170;&#222;           > D0 3E 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002DEAA372DE0, 16 bytes long.
 Data: <&#168;>7&#170;&#222;           > A8 3E 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002DEAA36BD60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002DEAA373470, 16 bytes long.
 Data: < >7&#170;&#222;           > 80 3E 37 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002DEAA373E80, 992 bytes long.
 Data: <p47&#170;&#222;   ` 6&#170;&#222;   > 70 34 37 AA DE 02 00 00 60 BD 36 AA DE 02 00 00 
{92} normal block at 0x000002DEAA36BC40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002DEAA367160, 16 bytes long.
 Data: < &#218;6&#170;&#222;           > 10 DA 36 AA DE 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002DEAA36DA10, 40 bytes long.
 Data: <`q6&#170;&#222;   @&#188;6&#170;&#222;   > 60 71 36 AA DE 02 00 00 40 BC 36 AA DE 02 00 00 
{69} normal block at 0x000002DEAA366EE0, 16 bytes long.
 Data: < &#234;S&#130;&#246;           > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002DEAA367890, 16 bytes long.
 Data: <@&#233;S&#130;&#246;           > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002DEAA366C10, 16 bytes long.
 Data: <&#248;WP&#130;&#246;           > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002DEAA366E40, 16 bytes long.
 Data: <&#216;WP&#130;&#246;           > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002DEAA367750, 16 bytes long.
 Data: <P P&#130;&#246;           > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002DEAA3676B0, 16 bytes long.
 Data: <0 P&#130;&#246;           > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002DEAA367B60, 16 bytes long.
 Data: <&#224; P&#130;&#246;           > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002DEAA367110, 16 bytes long.
 Data: <  P&#130;&#246;           > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002DEAA366DF0, 16 bytes long.
 Data: <p P&#130;&#246;           > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002DEAA367700, 16 bytes long.
 Data: < &#192;N&#130;&#246;           > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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