Task 38650928

Name test_118-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND4911_1
Workunit 31592995
Created 24 Oct 2026, 0:32:02 UTC
Sent 24 Oct 2026, 4:58:19 UTC
Report deadline 29 Oct 2026, 4:58:19 UTC
Received 24 Oct 2026, 5:33:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651905
Run time 26 min 41 sec
CPU time 22 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,624.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.72 MB
Peak swap size 6.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:07:17 (50188): wrapper (7.9.26016): starting
08:07:17 (50188): 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
08:07:18 (50188): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:07:18 (50188): 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
08:33:05 (50188): C:/Windows/system32/cmd.exe exited; CPU time 1334.046875
08:33:05 (50188): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 22996281 bytes.
Dumping objects ->
{3835555} normal block at 0x000001B9C70CC990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x000001B9C70CC220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001B9C70A4D50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x000001B9C70A4CE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x000001B9C70A51B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x000001B9C8DB4900, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000001B9C8E18780, 155 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) : {3835466} normal block at 0x000001B9C709D5C0, 8 bytes long.
 Data: <  X&#199;    > 00 00 58 C7 B9 01 00 00 
{3834693} normal block at 0x000001B9C8E186A0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001B9C709D6B0, 8 bytes long.
 Data: <&#176;&#174; &#199;    > B0 AE 0C C7 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B9C70A15D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B9C708EEA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B9C70A58D0, 16 bytes long.
 Data: <hk &#199;            > 68 6B 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B9C70A5EC0, 16 bytes long.
 Data: <@k &#199;            > 40 6B 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B9C709F6A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B9C70A6140, 16 bytes long.
 Data: < k &#199;            > 18 6B 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B9C70A63C0, 16 bytes long.
 Data: <&#240;j &#199;            > F0 6A 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B9C70A5FB0, 16 bytes long.
 Data: <&#200;j &#199;            > C8 6A 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B9C70A6460, 16 bytes long.
 Data: <&#160;j &#199;            > A0 6A 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B9C70A4EA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B9C70A5F10, 16 bytes long.
 Data: <h 	&#199;            > 68 01 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B9C70A0360, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B9C70A5880, 16 bytes long.
 Data: <@ 	&#199;            > 40 01 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B9C70A60A0, 16 bytes long.
 Data: <  	&#199;            > 18 01 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B9C70A67D0, 16 bytes long.
 Data: <&#240; 	&#199;            > F0 00 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B9C70A5D80, 16 bytes long.
 Data: <&#200; 	&#199;            > C8 00 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B9C70A6780, 16 bytes long.
 Data: <&#160; 	&#199;            > A0 00 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B9C70A5BA0, 16 bytes long.
 Data: <x 	&#199;            > 78 00 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B9C709F640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B9C70A5E70, 16 bytes long.
 Data: <P 	&#199;            > 50 00 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B9C7090050, 320 bytes long.
 Data: <p^ &#199;    @&#246;	&#199;    > 70 5E 0A C7 B9 01 00 00 40 F6 09 C7 B9 01 00 00 
{276} normal block at 0x000001B9C70A6730, 16 bytes long.
 Data: <&#128;j &#199;            > 80 6A 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B9C70A6690, 16 bytes long.
 Data: <Xj &#199;            > 58 6A 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B9C709F880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B9C70A5BF0, 16 bytes long.
 Data: <0j &#199;            > 30 6A 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B9C70A0480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B9C70A65F0, 16 bytes long.
 Data: <xi &#199;            > 78 69 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B9C70A66E0, 16 bytes long.
 Data: <Pi &#199;            > 50 69 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B9C70A5E20, 16 bytes long.
 Data: <(i &#199;            > 28 69 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B9C70A6640, 16 bytes long.
 Data: < i &#199;            > 00 69 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B9C70A62D0, 16 bytes long.
 Data: <&#216;h &#199;            > D8 68 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B9C70A5B00, 16 bytes long.
 Data: <&#176;h &#199;            > B0 68 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B9C70A6230, 16 bytes long.
 Data: <&#192;M &#199;            > C0 4D 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B9C70A4DC0, 40 bytes long.
 Data: <0b &#199;     I&#219;&#200;    > 30 62 0A C7 B9 01 00 00 00 49 DB C8 B9 01 00 00 
{262} normal block at 0x000001B9C70A61E0, 16 bytes long.
 Data: <&#144;h &#199;            > 90 68 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B9C70A64B0, 16 bytes long.
 Data: <hh &#199;            > 68 68 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B9C709F7C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B9C70A65A0, 16 bytes long.
 Data: <@h &#199;            > 40 68 0A C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B9C70A6840, 992 bytes long.
 Data: <&#160;e &#199;    &#192;&#247;	&#199;    > A0 65 0A C7 B9 01 00 00 C0 F7 09 C7 B9 01 00 00 
{94} normal block at 0x000001B9C709F940, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B9C709D520, 16 bytes long.
 Data: <&#176;&#239;	&#199;            > B0 EF 09 C7 B9 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B9C709EFB0, 40 bytes long.
 Data: < &#213;	&#199;    @&#249;	&#199;    > 20 D5 09 C7 B9 01 00 00 40 F9 09 C7 B9 01 00 00 
{71} normal block at 0x000001B9C709D660, 16 bytes long.
 Data: <&#128;&#234;/#&#247;           > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B9C709D430, 16 bytes long.
 Data: <@&#233;/#&#247;           > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B9C709D930, 16 bytes long.
 Data: <&#248;W,#&#247;           > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B9C709D3E0, 16 bytes long.
 Data: <&#216;W,#&#247;           > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B9C709D610, 16 bytes long.
 Data: <P ,#&#247;           > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B9C709E1A0, 16 bytes long.
 Data: <0 ,#&#247;           > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B9C709D390, 16 bytes long.
 Data: <&#224; ,#&#247;           > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B9C709D570, 16 bytes long.
 Data: <  ,#&#247;           > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B9C709DC00, 16 bytes long.
 Data: <p ,#&#247;           > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B9C709DCA0, 16 bytes long.
 Data: < &#192;*#&#247;           > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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