Task 38682204

Name test_268-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1668_0
Workunit 31623834
Created 27 Oct 2026, 6:58:37 UTC
Sent 27 Oct 2026, 6:58:39 UTC
Report deadline 1 Nov 2026, 6:58:39 UTC
Received 27 Oct 2026, 23:09:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653368
Run time 47 min 3 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 754.58 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>
22:22:27 (7860): wrapper (7.9.26016): starting
22:22:27 (7860): 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
22:22:28 (7860): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:22:28 (7860): 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
23:08:42 (7860): C:/Windows/system32/cmd.exe exited; CPU time 2788.703125
23:08:42 (7860): 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: 52511781 bytes.
Dumping objects ->
{3835234} normal block at 0x000001ED82012DA0, 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 0x000001ED83D24200, 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 0x000001ED83D23660, 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 0x000001ED83D23720, 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 0x000001ED83D23C00, 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 0x000001ED820128D0, 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 0x000001ED83CEC5B0, 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 0x000001ED8200D190, 8 bytes long.
 Data: <  &#247; &#237;   > 00 00 F7 81 ED 01 00 00 
{3834543} normal block at 0x000001ED83CEC500, 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 0x000001ED8200D280, 8 bytes long.
 Data: <p&#232;&#190;&#131;&#237;   > 70 E8 BE 83 ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001ED8200F5C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001ED82006690, 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 0x000001ED82013C00, 16 bytes long.
 Data: <XG &#130;&#237;           > 58 47 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001ED82013700, 16 bytes long.
 Data: <0G &#130;&#237;           > 30 47 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ED8200DAB0, 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 0x000001ED82013200, 16 bytes long.
 Data: < G &#130;&#237;           > 08 47 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001ED82013FC0, 16 bytes long.
 Data: <&#224;F &#130;&#237;           > E0 46 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED820135C0, 16 bytes long.
 Data: <&#184;F &#130;&#237;           > B8 46 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001ED82013BB0, 16 bytes long.
 Data: < F &#130;&#237;           > 90 46 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED82012D30, 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 0x000001ED82013E30, 16 bytes long.
 Data: <&#200;&#198; &#130;&#237;           > C8 C6 00 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ED8200E1D0, 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 0x000001ED820133E0, 16 bytes long.
 Data: <&#160;&#198; &#130;&#237;           > A0 C6 00 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED82013390, 16 bytes long.
 Data: <x&#198; &#130;&#237;           > 78 C6 00 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED82013E80, 16 bytes long.
 Data: <P&#198; &#130;&#237;           > 50 C6 00 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED82013750, 16 bytes long.
 Data: <(&#198; &#130;&#237;           > 28 C6 00 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED82013CF0, 16 bytes long.
 Data: < &#198; &#130;&#237;           > 00 C6 00 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ED82013A70, 16 bytes long.
 Data: <&#216;&#197; &#130;&#237;           > D8 C5 00 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED8200DDB0, 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 0x000001ED82013D40, 16 bytes long.
 Data: <&#176;&#197; &#130;&#237;           > B0 C5 00 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ED8200C5B0, 320 bytes long.
 Data: <@= &#130;&#237;   &#176;&#221; &#130;&#237;   > 40 3D 01 82 ED 01 00 00 B0 DD 00 82 ED 01 00 00 
{277} normal block at 0x000001ED82013F70, 16 bytes long.
 Data: <pF &#130;&#237;           > 70 46 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ED820136B0, 16 bytes long.
 Data: <HF &#130;&#237;           > 48 46 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED8200E050, 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 0x000001ED82013660, 16 bytes long.
 Data: < F &#130;&#237;           > 20 46 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ED8200E5F0, 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 0x000001ED82013A20, 16 bytes long.
 Data: <hE &#130;&#237;           > 68 45 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ED82013520, 16 bytes long.
 Data: <@E &#130;&#237;           > 40 45 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED82013610, 16 bytes long.
 Data: < E &#130;&#237;           > 18 45 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED82013980, 16 bytes long.
 Data: <&#240;D &#130;&#237;           > F0 44 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ED820139D0, 16 bytes long.
 Data: <&#200;D &#130;&#237;           > C8 44 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED820131B0, 16 bytes long.
 Data: <&#160;D &#130;&#237;           > A0 44 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ED82013DE0, 16 bytes long.
 Data: <`/ &#130;&#237;           > 60 2F 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED82012F60, 40 bytes long.
 Data: <&#224;= &#130;&#237;   &#208;( &#130;&#237;   > E0 3D 01 82 ED 01 00 00 D0 28 01 82 ED 01 00 00 
{263} normal block at 0x000001ED82013B10, 16 bytes long.
 Data: < D &#130;&#237;           > 80 44 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ED820138E0, 16 bytes long.
 Data: <XD &#130;&#237;           > 58 44 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED8200E2F0, 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 0x000001ED82013AC0, 16 bytes long.
 Data: <0D &#130;&#237;           > 30 44 01 82 ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ED82014430, 992 bytes long.
 Data: <&#192;: &#130;&#237;   &#240;&#226; &#130;&#237;   > C0 3A 01 82 ED 01 00 00 F0 E2 00 82 ED 01 00 00 
{95} normal block at 0x000001ED8200DFF0, 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 0x000001ED8200D820, 16 bytes long.
 Data: <0&#238;&#255; &#237;           > 30 EE FF 81 ED 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001ED81FFEE30, 40 bytes long.
 Data: < &#216; &#130;&#237;   &#240;&#223; &#130;&#237;   > 20 D8 00 82 ED 01 00 00 F0 DF 00 82 ED 01 00 00 
{72} normal block at 0x000001ED8200D0F0, 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 0x000001ED8200CDD0, 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 0x000001ED8200D230, 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 0x000001ED8200CD30, 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 0x000001ED8200D0A0, 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 0x000001ED8200CA60, 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 0x000001ED8200D050, 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 0x000001ED8200D870, 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 0x000001ED8200D000, 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 0x000001ED8200D320, 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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