Task 38674950

Name test_169-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5535_0
Workunit 31616952
Created 26 Oct 2026, 6:49:47 UTC
Sent 26 Oct 2026, 6:49:54 UTC
Report deadline 31 Oct 2026, 6:49:54 UTC
Received 26 Oct 2026, 7:12:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602597
Run time 22 min 33 sec
CPU time 16 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,001.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.09 MB
Peak swap size 8.50 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:50:58 (142480): wrapper (7.9.26016): starting
23:50:58 (142480): 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
23:50:59 (142480): Library/usr/bin/tar.exe exited; CPU time 0.031250
23:50:59 (142480): 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\17\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\17\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
00:12:37 (142480): C:/Windows/system32/cmd.exe exited; CPU time 991.875000
00:12:37 (142480): 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: 29161861 bytes.
Dumping objects ->
{3835198} normal block at 0x0000028A5E7E6710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000028A5E7E7190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x0000028A5E7E6630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x0000028A5E7E73C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000028A5E7E68D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x0000028A603F4AA0, 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) : {3835110} normal block at 0x0000028A5E7BB930, 8 bytes long.
 Data: <  	`&#138;   > 00 00 09 60 8A 02 00 00 
{3833959} normal block at 0x0000028A5E7BB2A0, 8 bytes long.
 Data: <&#176;&#195;z^&#138;   > B0 C3 7A 5E 8A 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000028A5E7AFA50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028A5E7B0280, 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 0x0000028A5E7C3590, 16 bytes long.
 Data: < C|^&#138;           > 18 43 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028A5E7C3040, 16 bytes long.
 Data: <&#240;B|^&#138;           > F0 42 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028A5E7BD920, 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 0x0000028A5E7C3A90, 16 bytes long.
 Data: <&#200;B|^&#138;           > C8 42 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028A5E7C3360, 16 bytes long.
 Data: <&#160;B|^&#138;           > A0 42 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028A5E7C3270, 16 bytes long.
 Data: <xB|^&#138;           > 78 42 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028A5E7C33B0, 16 bytes long.
 Data: <PB|^&#138;           > 50 42 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028A5E7BEA20, 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 0x0000028A5E7C3540, 16 bytes long.
 Data: <h&#223;z^&#138;           > 68 DF 7A 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028A5E7BD140, 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 0x0000028A5E7C2FF0, 16 bytes long.
 Data: <@&#223;z^&#138;           > 40 DF 7A 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028A5E7C3450, 16 bytes long.
 Data: < &#223;z^&#138;           > 18 DF 7A 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028A5E7C2F50, 16 bytes long.
 Data: <&#240;&#222;z^&#138;           > F0 DE 7A 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028A5E7C3400, 16 bytes long.
 Data: <&#200;&#222;z^&#138;           > C8 DE 7A 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028A5E7C3310, 16 bytes long.
 Data: <&#160;&#222;z^&#138;           > A0 DE 7A 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028A5E7C2F00, 16 bytes long.
 Data: <x&#222;z^&#138;           > 78 DE 7A 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028A5E7BD020, 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 0x0000028A5E7C3180, 16 bytes long.
 Data: <P&#222;z^&#138;           > 50 DE 7A 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028A5E7ADE50, 320 bytes long.
 Data: < 1|^&#138;    &#208;{^&#138;   > 80 31 7C 5E 8A 02 00 00 20 D0 7B 5E 8A 02 00 00 
{275} normal block at 0x0000028A5E7C2FA0, 16 bytes long.
 Data: <0B|^&#138;           > 30 42 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028A5E7C36D0, 16 bytes long.
 Data: < B|^&#138;           > 08 42 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028A5E7BDB00, 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 0x0000028A5E7C39F0, 16 bytes long.
 Data: <&#224;A|^&#138;           > E0 41 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028A5E7BD7A0, 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 0x0000028A5E7C2EB0, 16 bytes long.
 Data: <(A|^&#138;           > 28 41 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028A5E7C2DC0, 16 bytes long.
 Data: < A|^&#138;           > 00 41 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028A5E7C31D0, 16 bytes long.
 Data: <&#216;@|^&#138;           > D8 40 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028A5E7C30E0, 16 bytes long.
 Data: <&#176;@|^&#138;           > B0 40 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028A5E7C3130, 16 bytes long.
 Data: < @|^&#138;           > 88 40 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028A5E7C2E60, 16 bytes long.
 Data: <`@|^&#138;           > 60 40 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028A5E7C3B30, 16 bytes long.
 Data: <&#224;&#235;{^&#138;           > E0 EB 7B 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028A5E7BEBE0, 40 bytes long.
 Data: <0;|^&#138;   &#160;J?`&#138;   > 30 3B 7C 5E 8A 02 00 00 A0 4A 3F 60 8A 02 00 00 
{261} normal block at 0x0000028A5E7C3950, 16 bytes long.
 Data: <@@|^&#138;           > 40 40 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028A5E7C34A0, 16 bytes long.
 Data: < @|^&#138;           > 18 40 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028A5E7BCEA0, 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 0x0000028A5E7C2D70, 16 bytes long.
 Data: <&#240;?|^&#138;           > F0 3F 7C 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028A5E7C3FF0, 992 bytes long.
 Data: <p-|^&#138;   &#160;&#206;{^&#138;   > 70 2D 7C 5E 8A 02 00 00 A0 CE 7B 5E 8A 02 00 00 
{93} normal block at 0x0000028A5E7BD5C0, 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 0x0000028A5E7BB7A0, 16 bytes long.
 Data: <p&#235;{^&#138;           > 70 EB 7B 5E 8A 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000028A5E7BEB70, 40 bytes long.
 Data: <&#160;&#183;{^&#138;   &#192;&#213;{^&#138;   > A0 B7 7B 5E 8A 02 00 00 C0 D5 7B 5E 8A 02 00 00 
{70} normal block at 0x0000028A5E7BADF0, 16 bytes long.
 Data: < &#234;	w&#246;           > 80 EA 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028A5E7BB110, 16 bytes long.
 Data: <@&#233;	w&#246;           > 40 E9 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028A5E7BADA0, 16 bytes long.
 Data: <&#248;W w&#246;           > F8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028A5E7BB610, 16 bytes long.
 Data: <&#216;W w&#246;           > D8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028A5E7BB890, 16 bytes long.
 Data: <P  w&#246;           > 50 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028A5E7BB0C0, 16 bytes long.
 Data: <0  w&#246;           > 30 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028A5E7BB070, 16 bytes long.
 Data: <&#224;  w&#246;           > E0 02 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028A5E7BB1B0, 16 bytes long.
 Data: <   w&#246;           > 10 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028A5E7BAD00, 16 bytes long.
 Data: <p  w&#246;           > 70 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028A5E7BB200, 16 bytes long.
 Data: < &#192; w&#246;           > 18 C0 04 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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