Task 38685680

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8529_0
Workunit 31627141
Created 27 Oct 2026, 22:22:10 UTC
Sent 27 Oct 2026, 22:22:13 UTC
Report deadline 1 Nov 2026, 22:22:13 UTC
Received 28 Oct 2026, 0:50:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653368
Run time 34 min 2 sec
CPU time
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.49 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:16:31 (7208): wrapper (7.9.26016): starting
00:16:31 (7208): 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
00:16:32 (7208): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:16:32 (7208): 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:\BOINC2\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:\BOINC2\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
00:49:41 (7208): C:/Windows/system32/cmd.exe exited; CPU time 1998.515625
00:49:41 (7208): 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: 37608149 bytes.
Dumping objects ->
{3835234} normal block at 0x000001BD510929B0, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835223} normal block at 0x000001BD52F53720, 32 bytes long.
 Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835212} normal block at 0x000001BD52F53C60, 32 bytes long.
 Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C 
{3835201} normal block at 0x000001BD52F54380, 32 bytes long.
 Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835190} normal block at 0x000001BD52F544A0, 32 bytes long.
 Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32 
{3835159} normal block at 0x000001BD51092B70, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835148} normal block at 0x000001BD52F1C450, 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) : {3835145} normal block at 0x000001BD5108CB50, 8 bytes long.
 Data: <   Q&#189;   > 00 00 05 51 BD 01 00 00 
{3834543} normal block at 0x000001BD52F1C500, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001BD5108CBF0, 8 bytes long.
 Data: <p&#232;&#225;R&#189;   > 70 E8 E1 52 BD 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001BD5108EF80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001BD510868D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001BD510937F0, 16 bytes long.
 Data: <XG	Q&#189;           > 58 47 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BD51093B10, 16 bytes long.
 Data: <0G	Q&#189;           > 30 47 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BD5108E290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001BD51093930, 16 bytes long.
 Data: < G	Q&#189;           > 08 47 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BD510932F0, 16 bytes long.
 Data: <&#224;F	Q&#189;           > E0 46 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BD51093FC0, 16 bytes long.
 Data: <&#184;F	Q&#189;           > B8 46 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BD51093480, 16 bytes long.
 Data: < F	Q&#189;           > 90 46 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BD51092C50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001BD51093520, 16 bytes long.
 Data: <&#200;&#198; Q&#189;           > C8 C6 08 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BD5108DD50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001BD51093250, 16 bytes long.
 Data: <&#160;&#198; Q&#189;           > A0 C6 08 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BD51093D40, 16 bytes long.
 Data: <x&#198; Q&#189;           > 78 C6 08 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BD51093700, 16 bytes long.
 Data: <P&#198; Q&#189;           > 50 C6 08 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BD510934D0, 16 bytes long.
 Data: <(&#198; Q&#189;           > 28 C6 08 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BD51093390, 16 bytes long.
 Data: < &#198; Q&#189;           > 00 C6 08 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BD510933E0, 16 bytes long.
 Data: <&#216;&#197; Q&#189;           > D8 C5 08 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BD5108E590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001BD51093C00, 16 bytes long.
 Data: <&#176;&#197; Q&#189;           > B0 C5 08 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BD5108C5B0, 320 bytes long.
 Data: < <	Q&#189;    &#229; Q&#189;   > 00 3C 09 51 BD 01 00 00 90 E5 08 51 BD 01 00 00 
{277} normal block at 0x000001BD51093E80, 16 bytes long.
 Data: <pF	Q&#189;           > 70 46 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BD51093D90, 16 bytes long.
 Data: <HF	Q&#189;           > 48 46 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BD5108DCF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001BD51093BB0, 16 bytes long.
 Data: < F	Q&#189;           > 20 46 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BD5108E530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001BD510938E0, 16 bytes long.
 Data: <hE	Q&#189;           > 68 45 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BD510937A0, 16 bytes long.
 Data: <@E	Q&#189;           > 40 45 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BD510936B0, 16 bytes long.
 Data: < E	Q&#189;           > 18 45 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BD51093A20, 16 bytes long.
 Data: <&#240;D	Q&#189;           > F0 44 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BD51093430, 16 bytes long.
 Data: <&#200;D	Q&#189;           > C8 44 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BD51093CF0, 16 bytes long.
 Data: <&#160;D	Q&#189;           > A0 44 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BD51093160, 16 bytes long.
 Data: < .	Q&#189;           > 80 2E 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BD51092E80, 40 bytes long.
 Data: <`1	Q&#189;   p+	Q&#189;   > 60 31 09 51 BD 01 00 00 70 2B 09 51 BD 01 00 00 
{263} normal block at 0x000001BD51093070, 16 bytes long.
 Data: < D	Q&#189;           > 80 44 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BD51093DE0, 16 bytes long.
 Data: <XD	Q&#189;           > 58 44 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BD5108DE70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001BD510930C0, 16 bytes long.
 Data: <0D	Q&#189;           > 30 44 09 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BD51094430, 992 bytes long.
 Data: <&#192;0	Q&#189;   p&#222; Q&#189;   > C0 30 09 51 BD 01 00 00 70 DE 08 51 BD 01 00 00 
{95} normal block at 0x000001BD5108DFF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001BD5108CB00, 16 bytes long.
 Data: <0&#238; Q&#189;           > 30 EE 07 51 BD 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001BD5107EE30, 40 bytes long.
 Data: < &#203; Q&#189;   &#240;&#223; Q&#189;   > 00 CB 08 51 BD 01 00 00 F0 DF 08 51 BD 01 00 00 
{72} normal block at 0x000001BD5108D5F0, 16 bytes long.
 Data: < &#234; &#213;&#247;           > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BD5108CE20, 16 bytes long.
 Data: <@&#233; &#213;&#247;           > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BD5108D000, 16 bytes long.
 Data: <&#248;W&#255;&#212;&#247;           > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BD5108CAB0, 16 bytes long.
 Data: <&#216;W&#255;&#212;&#247;           > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BD5108C9C0, 16 bytes long.
 Data: <P &#255;&#212;&#247;           > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BD5108CFB0, 16 bytes long.
 Data: <0 &#255;&#212;&#247;           > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BD5108CA60, 16 bytes long.
 Data: <&#224; &#255;&#212;&#247;           > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BD5108D820, 16 bytes long.
 Data: <  &#255;&#212;&#247;           > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BD5108CD30, 16 bytes long.
 Data: <p &#255;&#212;&#247;           > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BD5108CF60, 16 bytes long.
 Data: < &#192;&#253;&#212;&#247;           > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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