Task 38681693

Name test_249-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4071_0
Workunit 31623349
Created 27 Oct 2026, 4:58:40 UTC
Sent 27 Oct 2026, 4:58:42 UTC
Report deadline 1 Nov 2026, 4:58:42 UTC
Received 27 Oct 2026, 5:31:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615292
Run time 30 min 53 sec
CPU time 25 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,314.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.05 MB
Peak swap size 6.74 GB
Peak disk usage 4.15 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:00:04 (11204): wrapper (7.9.26016): starting
23:00:04 (11204): 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
23:00:05 (11204): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:00:05 (11204): 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
23:30:11 (11204): C:/Windows/system32/cmd.exe exited; CPU time 1543.265625
23:30:11 (11204): 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: 27867399 bytes.
Dumping objects ->
{3835228} normal block at 0x000001DA07044780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001DA07044860, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001DA07044710, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x000001DA070444E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001DA07044BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x000001DA08D74E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x000001DA08D8EE10, 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) : {3835139} normal block at 0x000001DA0703EDC0, 8 bytes long.
 Data: <  W &#218;   > 00 00 57 07 DA 01 00 00 
{3834539} normal block at 0x000001DA08D8ECB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001DA0703F130, 8 bytes long.
 Data: <PW&#221; &#218;   > 50 57 DD 08 DA 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DA070405C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DA070364C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001DA07045980, 16 bytes long.
 Data: < e  &#218;           > 88 65 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DA07046060, 16 bytes long.
 Data: <`e  &#218;           > 60 65 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DA0703FA90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001DA070454D0, 16 bytes long.
 Data: <8e  &#218;           > 38 65 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DA07046100, 16 bytes long.
 Data: < e  &#218;           > 10 65 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DA07045B60, 16 bytes long.
 Data: <&#232;d  &#218;           > E8 64 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DA07045480, 16 bytes long.
 Data: <&#192;d  &#218;           > C0 64 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DA07044550, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001DA07045DE0, 16 bytes long.
 Data: <&#216;&#142;  &#218;           > D8 8E 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DA070403F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001DA07045ED0, 16 bytes long.
 Data: <&#176;&#142;  &#218;           > B0 8E 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DA07046010, 16 bytes long.
 Data: < &#142;  &#218;           > 88 8E 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DA07045930, 16 bytes long.
 Data: <`&#142;  &#218;           > 60 8E 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DA07045430, 16 bytes long.
 Data: <8&#142;  &#218;           > 38 8E 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DA07045CF0, 16 bytes long.
 Data: < &#142;  &#218;           > 10 8E 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DA07045B10, 16 bytes long.
 Data: <&#232;   &#218;           > E8 8D 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DA07040270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001DA070459D0, 16 bytes long.
 Data: <&#192;   &#218;           > C0 8D 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DA07038DC0, 320 bytes long.
 Data: <&#208;Y  &#218;   p   &#218;   > D0 59 04 07 DA 01 00 00 70 02 04 07 DA 01 00 00 
{276} normal block at 0x000001DA07045A20, 16 bytes long.
 Data: <&#160;d  &#218;           > A0 64 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DA07045E80, 16 bytes long.
 Data: <xd  &#218;           > 78 64 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DA07040210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001DA07045700, 16 bytes long.
 Data: <Pd  &#218;           > 50 64 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DA07040030, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001DA07045CA0, 16 bytes long.
 Data: < c  &#218;           > 98 63 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DA07045340, 16 bytes long.
 Data: <pc  &#218;           > 70 63 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DA07045840, 16 bytes long.
 Data: <Hc  &#218;           > 48 63 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DA07045520, 16 bytes long.
 Data: < c  &#218;           > 20 63 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DA07045F70, 16 bytes long.
 Data: <&#248;b  &#218;           > F8 62 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DA070458E0, 16 bytes long.
 Data: <&#208;b  &#218;           > D0 62 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DA07045750, 16 bytes long.
 Data: < J  &#218;           > 90 4A 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DA07044A90, 40 bytes long.
 Data: <PW  &#218;    N&#215; &#218;   > 50 57 04 07 DA 01 00 00 00 4E D7 08 DA 01 00 00 
{262} normal block at 0x000001DA07045FC0, 16 bytes long.
 Data: <&#176;b  &#218;           > B0 62 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DA07045390, 16 bytes long.
 Data: < b  &#218;           > 88 62 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DA0703F790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001DA07045D90, 16 bytes long.
 Data: <`b  &#218;           > 60 62 04 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DA07046260, 992 bytes long.
 Data: < ]  &#218;    &#247;  &#218;   > 90 5D 04 07 DA 01 00 00 90 F7 03 07 DA 01 00 00 
{94} normal block at 0x000001DA070401B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001DA0703E870, 16 bytes long.
 Data: <&#160;&#228;  &#218;           > A0 E4 03 07 DA 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001DA0703E4A0, 40 bytes long.
 Data: <p&#232;  &#218;   &#176;   &#218;   > 70 E8 03 07 DA 01 00 00 B0 01 04 07 DA 01 00 00 
{71} normal block at 0x000001DA0703F0E0, 16 bytes long.
 Data: < &#234;&#151; &#246;           > 80 EA 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DA0703E730, 16 bytes long.
 Data: <@&#233;&#151; &#246;           > 40 E9 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DA0703F360, 16 bytes long.
 Data: <&#248;W&#148; &#246;           > F8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DA0703F2C0, 16 bytes long.
 Data: <&#216;W&#148; &#246;           > D8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DA0703EF00, 16 bytes long.
 Data: <P &#148; &#246;           > 50 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DA0703F310, 16 bytes long.
 Data: <0 &#148; &#246;           > 30 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DA0703F4A0, 16 bytes long.
 Data: <&#224; &#148; &#246;           > E0 02 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DA0703EEB0, 16 bytes long.
 Data: <  &#148; &#246;           > 10 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DA0703F450, 16 bytes long.
 Data: <p &#148; &#246;           > 70 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DA0703ECD0, 16 bytes long.
 Data: < &#192;&#146; &#246;           > 18 C0 92 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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