Task 38687938

Name test_455-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7215_0
Workunit 31629309
Created 28 Oct 2026, 10:38:52 UTC
Sent 28 Oct 2026, 10:39:06 UTC
Report deadline 2 Nov 2026, 10:39:06 UTC
Received 28 Oct 2026, 11:27:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 35 min 11 sec
CPU time 34 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.06 MB
Peak swap size 12.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:52:51 (14444): wrapper (7.9.26016): starting
05:52:51 (14444): 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
05:52:52 (14444): Library/usr/bin/tar.exe exited; CPU time 0.046875
05:52:52 (14444): 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
06:27:12 (14444): C:/Windows/system32/cmd.exe exited; CPU time 2073.453125
06:27:12 (14444): 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: 32134537 bytes.
Dumping objects ->
{3835561} normal block at 0x0000022898977920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x0000022898976C00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x00000228989778B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x0000022896BA3D40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x0000022896BA3C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x00000228989831A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002289899DF20, 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) : {3835472} normal block at 0x0000022896B9E510, 8 bytes long.
 Data: <   &#151;(   > 00 00 06 97 28 02 00 00 
{3834694} normal block at 0x000002289899DA50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000022896B9F190, 8 bytes long.
 Data: < '&#158; (   > 20 27 9E 98 28 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000022896BA0940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022896B96760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000022896BA5150, 16 bytes long.
 Data: <8H&#186;&#150;(           > 38 48 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022896BA4A70, 16 bytes long.
 Data: < H&#186;&#150;(           > 10 48 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022896B9FEB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000022896BA53D0, 16 bytes long.
 Data: <&#232;G&#186;&#150;(           > E8 47 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022896BA5830, 16 bytes long.
 Data: <&#192;G&#186;&#150;(           > C0 47 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022896BA4BB0, 16 bytes long.
 Data: < G&#186;&#150;(           > 98 47 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022896BA5100, 16 bytes long.
 Data: <pG&#186;&#150;(           > 70 47 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022896BA3950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000022896BA51F0, 16 bytes long.
 Data: <h&#242;&#184;&#150;(           > 68 F2 B8 96 28 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022896B9FCD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000022896BA58D0, 16 bytes long.
 Data: <@&#242;&#184;&#150;(           > 40 F2 B8 96 28 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022896BA56F0, 16 bytes long.
 Data: < &#242;&#184;&#150;(           > 18 F2 B8 96 28 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022896BA5790, 16 bytes long.
 Data: <&#240;&#241;&#184;&#150;(           > F0 F1 B8 96 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022896BA5470, 16 bytes long.
 Data: <&#200;&#241;&#184;&#150;(           > C8 F1 B8 96 28 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022896BA4E80, 16 bytes long.
 Data: <&#160;&#241;&#184;&#150;(           > A0 F1 B8 96 28 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022896BA4C50, 16 bytes long.
 Data: <x&#241;&#184;&#150;(           > 78 F1 B8 96 28 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022896B9F6D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000022896BA5740, 16 bytes long.
 Data: <P&#241;&#184;&#150;(           > 50 F1 B8 96 28 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022896B8F150, 320 bytes long.
 Data: <@W&#186;&#150;(   &#208;&#246;&#185;&#150;(   > 40 57 BA 96 28 02 00 00 D0 F6 B9 96 28 02 00 00 
{275} normal block at 0x0000022896BA5290, 16 bytes long.
 Data: <PG&#186;&#150;(           > 50 47 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022896BA56A0, 16 bytes long.
 Data: <(G&#186;&#150;(           > 28 47 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022896B9FA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000022896BA5010, 16 bytes long.
 Data: < G&#186;&#150;(           > 00 47 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022896B9F670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000022896BA5650, 16 bytes long.
 Data: <HF&#186;&#150;(           > 48 46 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022896BA5510, 16 bytes long.
 Data: < F&#186;&#150;(           > 20 46 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022896BA57E0, 16 bytes long.
 Data: <&#248;E&#186;&#150;(           > F8 45 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022896B9E6A0, 16 bytes long.
 Data: <&#208;E&#186;&#150;(           > D0 45 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022896B9E5B0, 16 bytes long.
 Data: <&#168;E&#186;&#150;(           > A8 45 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022896B9F370, 16 bytes long.
 Data: < E&#186;&#150;(           > 80 45 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022896B9F320, 16 bytes long.
 Data: <&#224;?&#186;&#150;(           > E0 3F BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022896BA3FE0, 40 bytes long.
 Data: < &#243;&#185;&#150;(   &#160;1  (   > 20 F3 B9 96 28 02 00 00 A0 31 98 98 28 02 00 00 
{261} normal block at 0x0000022896B9E7E0, 16 bytes long.
 Data: <`E&#186;&#150;(           > 60 45 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022896B9F2D0, 16 bytes long.
 Data: <8E&#186;&#150;(           > 38 45 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022896B9FA30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000022896B9E880, 16 bytes long.
 Data: < E&#186;&#150;(           > 10 45 BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022896BA4510, 992 bytes long.
 Data: < &#232;&#185;&#150;(   0&#250;&#185;&#150;(   > 80 E8 B9 96 28 02 00 00 30 FA B9 96 28 02 00 00 
{93} normal block at 0x0000022896B9FBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000022896B9EA60, 16 bytes long.
 Data: <&#176;=&#186;&#150;(           > B0 3D BA 96 28 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000022896BA3DB0, 40 bytes long.
 Data: <`&#234;&#185;&#150;(   &#176;&#251;&#185;&#150;(   > 60 EA B9 96 28 02 00 00 B0 FB B9 96 28 02 00 00 
{70} normal block at 0x0000022896B9EB50, 16 bytes long.
 Data: < &#234; =&#246;           > 80 EA 03 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022896B9E970, 16 bytes long.
 Data: <@&#233; =&#246;           > 40 E9 03 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022896B9E4C0, 16 bytes long.
 Data: <&#248;W =&#246;           > F8 57 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022896B9EC90, 16 bytes long.
 Data: <&#216;W =&#246;           > D8 57 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022896B9E9C0, 16 bytes long.
 Data: <P  =&#246;           > 50 04 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022896B9F140, 16 bytes long.
 Data: <0  =&#246;           > 30 04 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022896B9F000, 16 bytes long.
 Data: <&#224;  =&#246;           > E0 02 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022896B9EBF0, 16 bytes long.
 Data: <   =&#246;           > 10 04 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022896B9EC40, 16 bytes long.
 Data: <p  =&#246;           > 70 04 00 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022896B9EA10, 16 bytes long.
 Data: < &#192;&#254;<&#246;           > 18 C0 FE 3C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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