Task 38696705

Name test_814-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8102_0
Workunit 31637325
Created 1 Nov 2026, 3:38:00 UTC
Sent 1 Nov 2026, 3:38:07 UTC
Report deadline 6 Nov 2026, 3:38:07 UTC
Received 1 Nov 2026, 4:22:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649231
Run time 42 min 8 sec
CPU time 39 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.38 MB
Peak swap size 14.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:39:59 (17316): wrapper (7.9.26016): starting
22:39:59 (17316): 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
22:40:01 (17316): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:40:01 (17316): 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:\ProgramData\BOINC\slots\36\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:\ProgramData\BOINC\slots\36\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
23:20:42 (17316): C:/Windows/system32/cmd.exe exited; CPU time 2345.078125
23:20:42 (17316): 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: 59421161 bytes.
Dumping objects ->
{3835285} normal block at 0x0000022FA3186510, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x0000022FA31867B0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835263} normal block at 0x0000022FA3186580, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835252} normal block at 0x0000022FA31866D0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x0000022FA31869E0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835210} normal block at 0x0000022FA5039280, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000022FA504EF30, 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) : {3835196} normal block at 0x0000022FA317DF30, 8 bytes long.
 Data: <   &#163;/   > 00 00 13 A3 2F 02 00 00 
{3834573} normal block at 0x0000022FA504EDD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000022FA317D350, 8 bytes long.
 Data: < N &#165;/   > 20 4E 0C A5 2F 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000022FA3182090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022FA3176400, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000022FA3185CB0, 16 bytes long.
 Data: <&#232;b &#163;/           > E8 62 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022FA3185800, 16 bytes long.
 Data: <&#192;b &#163;/           > C0 62 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022FA317FA00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000022FA3185530, 16 bytes long.
 Data: < b &#163;/           > 98 62 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022FA3185C60, 16 bytes long.
 Data: <pb &#163;/           > 70 62 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022FA3185D50, 16 bytes long.
 Data: <Hb &#163;/           > 48 62 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022FA3185300, 16 bytes long.
 Data: < b &#163;/           > 20 62 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022FA3186890, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000022FA3185C10, 16 bytes long.
 Data: <&#184;&#187; &#163;/           > B8 BB 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022FA3180000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000022FA3185080, 16 bytes long.
 Data: < &#187; &#163;/           > 90 BB 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022FA3185D00, 16 bytes long.
 Data: <h&#187; &#163;/           > 68 BB 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022FA31855D0, 16 bytes long.
 Data: <@&#187; &#163;/           > 40 BB 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022FA3185BC0, 16 bytes long.
 Data: < &#187; &#163;/           > 18 BB 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022FA3185B70, 16 bytes long.
 Data: <&#240;&#186; &#163;/           > F0 BA 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022FA3185B20, 16 bytes long.
 Data: <&#200;&#186; &#163;/           > C8 BA 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022FA31800C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000022FA3184FE0, 16 bytes long.
 Data: <&#160;&#186; &#163;/           > A0 BA 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022FA316BAA0, 320 bytes long.
 Data: <&#224;O &#163;/   &#192;  &#163;/   > E0 4F 18 A3 2F 02 00 00 C0 00 18 A3 2F 02 00 00 
{278} normal block at 0x0000022FA3185620, 16 bytes long.
 Data: < b &#163;/           > 00 62 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022FA3184EF0, 16 bytes long.
 Data: <&#216;a &#163;/           > D8 61 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022FA317F880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000022FA3185AD0, 16 bytes long.
 Data: <&#176;a &#163;/           > B0 61 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022FA317F940, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000022FA3185A80, 16 bytes long.
 Data: <&#248;` &#163;/           > F8 60 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022FA3185030, 16 bytes long.
 Data: <&#208;` &#163;/           > D0 60 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022FA31858A0, 16 bytes long.
 Data: <&#168;` &#163;/           > A8 60 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022FA3185490, 16 bytes long.
 Data: < ` &#163;/           > 80 60 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022FA3184F90, 16 bytes long.
 Data: <X` &#163;/           > 58 60 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022FA3185170, 16 bytes long.
 Data: <0` &#163;/           > 30 60 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022FA3185940, 16 bytes long.
 Data: <&#160;&#199; &#163;/           > A0 C7 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022FA316C7A0, 40 bytes long.
 Data: <@Y &#163;/    &#146; &#165;/   > 40 59 18 A3 2F 02 00 00 80 92 03 A5 2F 02 00 00 
{264} normal block at 0x0000022FA3185990, 16 bytes long.
 Data: < ` &#163;/           > 10 60 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022FA31857B0, 16 bytes long.
 Data: <&#232;_ &#163;/           > E8 5F 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022FA317F820, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000022FA31854E0, 16 bytes long.
 Data: <&#192;_ &#163;/           > C0 5F 18 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022FA3185FC0, 992 bytes long.
 Data: <&#224;T &#163;/    &#248; &#163;/   > E0 54 18 A3 2F 02 00 00 20 F8 17 A3 2F 02 00 00 
{96} normal block at 0x0000022FA317FB20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000022FA317D940, 16 bytes long.
 Data: <0&#227; &#163;/           > 30 E3 16 A3 2F 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000022FA316E330, 40 bytes long.
 Data: <@&#217; &#163;/    &#251; &#163;/   > 40 D9 17 A3 2F 02 00 00 20 FB 17 A3 2F 02 00 00 
{73} normal block at 0x0000022FA317DAD0, 16 bytes long.
 Data: < &#234;&#206;C&#246;           > 80 EA CE 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022FA317DC10, 16 bytes long.
 Data: <@&#233;&#206;C&#246;           > 40 E9 CE 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022FA317D210, 16 bytes long.
 Data: <&#248;W&#203;C&#246;           > F8 57 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022FA317DE40, 16 bytes long.
 Data: <&#216;W&#203;C&#246;           > D8 57 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022FA317DEE0, 16 bytes long.
 Data: <P &#203;C&#246;           > 50 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022FA317E110, 16 bytes long.
 Data: <0 &#203;C&#246;           > 30 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022FA317D2B0, 16 bytes long.
 Data: <&#224; &#203;C&#246;           > E0 02 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022FA317D3A0, 16 bytes long.
 Data: <  &#203;C&#246;           > 10 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022FA317D260, 16 bytes long.
 Data: <p &#203;C&#246;           > 70 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022FA317D6C0, 16 bytes long.
 Data: < &#192;&#201;C&#246;           > 18 C0 C9 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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