Task 38686511

Name test_206-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0044_0
Workunit 31627942
Created 28 Oct 2026, 2:58:54 UTC
Sent 28 Oct 2026, 2:59:03 UTC
Report deadline 2 Nov 2026, 2:59:03 UTC
Received 28 Oct 2026, 8:04:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 34 min 18 sec
CPU time 24 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.07 MB
Peak swap size 3.93 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:35:43 (4364): wrapper (7.9.26016): starting
00:35:43 (4364): 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
00:35:45 (4364): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:35:45 (4364): 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:\S0_4_Boinc-Ssd_mp_80GB\boinc\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:\S0_4_Boinc-Ssd_mp_80GB\boinc\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
01:03:13 (4364): C:/Windows/system32/cmd.exe exited; CPU time 1493.281250
01:03:13 (4364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 20669737 bytes.
Dumping objects ->
{3847981} normal block at 0x000001E657AC9290, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3847970} normal block at 0x000001E655ECB2F0, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3847959} normal block at 0x000001E655ECB600, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3847948} normal block at 0x000001E655ECAE90, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3847937} normal block at 0x000001E655ECA9C0, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3847906} normal block at 0x000001E657AC8710, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3847895} normal block at 0x000001E657AE0BF0, 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) : {3847892} normal block at 0x000001E655EA2A10, 8 bytes long.
 Data: <  @V&#230;   > 00 00 40 56 E6 01 00 00 
{3847285} normal block at 0x000001E657AE12D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3846695} normal block at 0x000001E655EA1DE0, 8 bytes long.
 Data: <&#192;k&#178;W&#230;   > C0 6B B2 57 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001E655EA3890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001E655E98080, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000001E655EA78B0, 16 bytes long.
 Data: < &#135;&#234;U&#230;           > 88 87 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001E655EA7D10, 16 bytes long.
 Data: <`&#135;&#234;U&#230;           > 60 87 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001E655E9F410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000001E655EA7F40, 16 bytes long.
 Data: <8&#135;&#234;U&#230;           > 38 87 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001E655EA7DB0, 16 bytes long.
 Data: < &#135;&#234;U&#230;           > 10 87 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001E655EA7590, 16 bytes long.
 Data: <&#232;&#134;&#234;U&#230;           > E8 86 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E655EA7C70, 16 bytes long.
 Data: <&#192;&#134;&#234;U&#230;           > C0 86 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001E655EA0780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000001E655EA77C0, 16 bytes long.
 Data: <&#216;&#167;&#233;U&#230;           > D8 A7 E9 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E655E9F170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000001E655EA80D0, 16 bytes long.
 Data: <&#176;&#167;&#233;U&#230;           > B0 A7 E9 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E655EA8210, 16 bytes long.
 Data: < &#167;&#233;U&#230;           > 88 A7 E9 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E655EA7E00, 16 bytes long.
 Data: <`&#167;&#233;U&#230;           > 60 A7 E9 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E655EA7540, 16 bytes long.
 Data: <8&#167;&#233;U&#230;           > 38 A7 E9 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E655EA7BD0, 16 bytes long.
 Data: < &#167;&#233;U&#230;           > 10 A7 E9 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E655EA83A0, 16 bytes long.
 Data: <&#232;&#166;&#233;U&#230;           > E8 A6 E9 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E655E9F350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000001E655EA76D0, 16 bytes long.
 Data: <&#192;&#166;&#233;U&#230;           > C0 A6 E9 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E655E9A6C0, 320 bytes long.
 Data: <&#208;v&#234;U&#230;   P&#243;&#233;U&#230;   > D0 76 EA 55 E6 01 00 00 50 F3 E9 55 E6 01 00 00 
{290} normal block at 0x000001E655EA82B0, 16 bytes long.
 Data: <&#160;&#134;&#234;U&#230;           > A0 86 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E655EA8170, 16 bytes long.
 Data: <x&#134;&#234;U&#230;           > 78 86 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E655E9F5F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000001E655EA7860, 16 bytes long.
 Data: <P&#134;&#234;U&#230;           > 50 86 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E655E9F2F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000001E655EA7EF0, 16 bytes long.
 Data: < &#133;&#234;U&#230;           > 98 85 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E655EA7680, 16 bytes long.
 Data: <p&#133;&#234;U&#230;           > 70 85 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E655EA7AE0, 16 bytes long.
 Data: <H&#133;&#234;U&#230;           > 48 85 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E655EA7630, 16 bytes long.
 Data: < &#133;&#234;U&#230;           > 20 85 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E655EA79A0, 16 bytes long.
 Data: <&#248;&#132;&#234;U&#230;           > F8 84 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E655EA8120, 16 bytes long.
 Data: <&#208;&#132;&#234;U&#230;           > D0 84 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E655EA8350, 16 bytes long.
 Data: <  &#234;U&#230;           > 10 07 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E655EA0710, 40 bytes long.
 Data: <P&#131;&#234;U&#230;    &#135;&#172;W&#230;   > 50 83 EA 55 E6 01 00 00 10 87 AC 57 E6 01 00 00 
{276} normal block at 0x000001E655EA7CC0, 16 bytes long.
 Data: <&#176;&#132;&#234;U&#230;           > B0 84 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E655EA83F0, 16 bytes long.
 Data: < &#132;&#234;U&#230;           > 88 84 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E655E9F110, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000001E655EA8300, 16 bytes long.
 Data: <`&#132;&#234;U&#230;           > 60 84 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E655EA8460, 992 bytes long.
 Data: < &#131;&#234;U&#230;    &#241;&#233;U&#230;   > 00 83 EA 55 E6 01 00 00 10 F1 E9 55 E6 01 00 00 
{108} normal block at 0x000001E655E9EFF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001E655EA1D90, 16 bytes long.
 Data: <0 &#234;U&#230;           > 30 06 EA 55 E6 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001E655EA0630, 40 bytes long.
 Data: <  &#234;U&#230;   &#240;&#239;&#233;U&#230;   > 90 1D EA 55 E6 01 00 00 F0 EF E9 55 E6 01 00 00 
{85} normal block at 0x000001E655EA1C00, 16 bytes long.
 Data: < &#234;#j&#246;           > 80 EA 23 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001E655EA1CA0, 16 bytes long.
 Data: <@&#233;#j&#246;           > 40 E9 23 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001E655EA2380, 16 bytes long.
 Data: <&#248;W j&#246;           > F8 57 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E655EA23D0, 16 bytes long.
 Data: <&#216;W j&#246;           > D8 57 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001E655EA1E30, 16 bytes long.
 Data: <P  j&#246;           > 50 04 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001E655EA21A0, 16 bytes long.
 Data: <0  j&#246;           > 30 04 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001E655EA22E0, 16 bytes long.
 Data: <&#224;  j&#246;           > E0 02 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001E655EA2060, 16 bytes long.
 Data: <   j&#246;           > 10 04 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001E655EA1AC0, 16 bytes long.
 Data: <p  j&#246;           > 70 04 20 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001E655EA1BB0, 16 bytes long.
 Data: < &#192; j&#246;           > 18 C0 1E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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