Task 38671544

Name test_118-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND4911_0
Workunit 31613743
Created 25 Oct 2026, 20:49:00 UTC
Sent 25 Oct 2026, 20:49:07 UTC
Report deadline 30 Oct 2026, 20:49:07 UTC
Received 25 Oct 2026, 21:22:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 28 min 4 sec
CPU time 26 min 6 sec
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 727.94 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:55:17 (12732): wrapper (7.9.26016): starting
15:55:17 (12732): 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
15:55:18 (12732): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:55:18 (12732): 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
16:22:14 (12732): C:/Windows/system32/cmd.exe exited; CPU time 1566.828125
16:22:14 (12732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 42322369 bytes.
Dumping objects ->
{3835258} normal block at 0x0000015E5C4CD410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000015E5A7948B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000015E5A7947D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000015E5A794760, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000015E5A794D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000015E5C51A620, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835170} normal block at 0x0000015E5A78EB90, 8 bytes long.
 Data: <  sZ^   > 00 00 73 5A 5E 01 00 00 
{3833959} normal block at 0x0000015E5A78F680, 8 bytes long.
 Data: <`&#227;B\^   > 60 E3 42 5C 5E 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000015E5A7914C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015E5A786890, 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 0x0000015E5A795AD0, 16 bytes long.
 Data: <&#248;WyZ^           > F8 57 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015E5A796390, 16 bytes long.
 Data: <&#208;WyZ^           > D0 57 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015E5A78FE30, 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 0x0000015E5A795940, 16 bytes long.
 Data: <&#168;WyZ^           > A8 57 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015E5A795A30, 16 bytes long.
 Data: < WyZ^           > 80 57 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015E5A796250, 16 bytes long.
 Data: <XWyZ^           > 58 57 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015E5A796890, 16 bytes long.
 Data: <0WyZ^           > 30 57 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015E5A794E60, 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 0x0000015E5A795A80, 16 bytes long.
 Data: <&#232; xZ^           > E8 90 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015E5A790250, 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 0x0000015E5A796840, 16 bytes long.
 Data: <&#192; xZ^           > C0 90 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015E5A796110, 16 bytes long.
 Data: <  xZ^           > 98 90 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015E5A7959E0, 16 bytes long.
 Data: <p xZ^           > 70 90 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015E5A7967F0, 16 bytes long.
 Data: <H xZ^           > 48 90 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015E5A796340, 16 bytes long.
 Data: <  xZ^           > 20 90 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015E5A7967A0, 16 bytes long.
 Data: <&#248; xZ^           > F8 8F 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015E5A7903D0, 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 0x0000015E5A795E40, 16 bytes long.
 Data: <&#208; xZ^           > D0 8F 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015E5A788FD0, 320 bytes long.
 Data: <@^yZ^   &#208; yZ^   > 40 5E 79 5A 5E 01 00 00 D0 03 79 5A 5E 01 00 00 
{275} normal block at 0x0000015E5A7960C0, 16 bytes long.
 Data: < WyZ^           > 10 57 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015E5A795D50, 16 bytes long.
 Data: <&#232;VyZ^           > E8 56 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015E5A7905B0, 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 0x0000015E5A7962F0, 16 bytes long.
 Data: <&#192;VyZ^           > C0 56 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015E5A78FB90, 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 0x0000015E5A796750, 16 bytes long.
 Data: < VyZ^           > 08 56 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015E5A795990, 16 bytes long.
 Data: <&#224;UyZ^           > E0 55 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015E5A796020, 16 bytes long.
 Data: <&#184;UyZ^           > B8 55 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015E5A795FD0, 16 bytes long.
 Data: < UyZ^           > 90 55 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015E5A795DF0, 16 bytes long.
 Data: <hUyZ^           > 68 55 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015E5A78F2C0, 16 bytes long.
 Data: <@UyZ^           > 40 55 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015E5A78EA00, 16 bytes long.
 Data: <0LyZ^           > 30 4C 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015E5A794C30, 40 bytes long.
 Data: < &#234;xZ^    &#166;Q\^   > 00 EA 78 5A 5E 01 00 00 20 A6 51 5C 5E 01 00 00 
{261} normal block at 0x0000015E5A78F270, 16 bytes long.
 Data: < UyZ^           > 20 55 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015E5A78F220, 16 bytes long.
 Data: <&#248;TyZ^           > F8 54 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015E5A790070, 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 0x0000015E5A78E960, 16 bytes long.
 Data: <&#208;TyZ^           > D0 54 79 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015E5A7954D0, 992 bytes long.
 Data: <`&#233;xZ^   p yZ^   > 60 E9 78 5A 5E 01 00 00 70 00 79 5A 5E 01 00 00 
{93} normal block at 0x0000015E5A790490, 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 0x0000015E5A78F180, 16 bytes long.
 Data: < &#231;xZ^           > 20 E7 78 5A 5E 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000015E5A78E720, 40 bytes long.
 Data: < &#241;xZ^     yZ^   > 80 F1 78 5A 5E 01 00 00 90 04 79 5A 5E 01 00 00 
{70} normal block at 0x0000015E5A78F090, 16 bytes long.
 Data: < &#234;%&#158;&#246;           > 80 EA 25 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015E5A78F4F0, 16 bytes long.
 Data: <@&#233;%&#158;&#246;           > 40 E9 25 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015E5A78EC30, 16 bytes long.
 Data: <&#248;W"&#158;&#246;           > F8 57 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015E5A78F630, 16 bytes long.
 Data: <&#216;W"&#158;&#246;           > D8 57 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015E5A78EF00, 16 bytes long.
 Data: <P "&#158;&#246;           > 50 04 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015E5A78E9B0, 16 bytes long.
 Data: <0 "&#158;&#246;           > 30 04 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015E5A78F4A0, 16 bytes long.
 Data: <&#224; "&#158;&#246;           > E0 02 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015E5A78F770, 16 bytes long.
 Data: <  "&#158;&#246;           > 10 04 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015E5A78F310, 16 bytes long.
 Data: <p "&#158;&#246;           > 70 04 22 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015E5A78E870, 16 bytes long.
 Data: < &#192; &#158;&#246;           > 18 C0 20 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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