Task 38659143

Name test_710-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1983_0
Workunit 31602696
Created 24 Oct 2026, 13:17:03 UTC
Sent 24 Oct 2026, 13:22:26 UTC
Report deadline 29 Oct 2026, 13:22:26 UTC
Received 24 Oct 2026, 14:05:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631893
Run time 35 min 3 sec
CPU time 32 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.30 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:31:48 (17724): wrapper (7.9.26016): starting
08:31:48 (17724): 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
08:31:49 (17724): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:31:49 (17724): 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\1\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\1\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
09:05:16 (17724): C:/Windows/system32/cmd.exe exited; CPU time 1976.562500
09:05:16 (17724): 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: 32621377 bytes.
Dumping objects ->
{3835441} normal block at 0x00000177D1945550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x00000177D1945630, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x00000177D1945390, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835408} normal block at 0x00000177D1945860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835397} normal block at 0x00000177D19452B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835366} normal block at 0x00000177D36DC240, 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) : {3835353} normal block at 0x00000177D193E4C0, 8 bytes long.
 Data: <  &#226;&#209;w   > 00 00 E2 D1 77 01 00 00 
{3833965} normal block at 0x00000177D193E2E0, 8 bytes long.
 Data: < Hs&#211;w   > 90 48 73 D3 77 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000177D1941D40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000177D1930720, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000177D19466A0, 16 bytes long.
 Data: < r&#148;&#209;w           > 08 72 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000177D1946510, 16 bytes long.
 Data: <&#224;q&#148;&#209;w           > E0 71 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000177D1940010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000177D1946830, 16 bytes long.
 Data: <&#184;q&#148;&#209;w           > B8 71 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000177D19465B0, 16 bytes long.
 Data: < q&#148;&#209;w           > 90 71 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000177D1946060, 16 bytes long.
 Data: <hq&#148;&#209;w           > 68 71 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000177D1946E70, 16 bytes long.
 Data: <@q&#148;&#209;w           > 40 71 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000177D1945470, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000177D1946740, 16 bytes long.
 Data: <x &#147;&#209;w           > 78 0A 93 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000177D193FE90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000177D1946650, 16 bytes long.
 Data: <P &#147;&#209;w           > 50 0A 93 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000177D1946E20, 16 bytes long.
 Data: <( &#147;&#209;w           > 28 0A 93 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000177D19461A0, 16 bytes long.
 Data: <  &#147;&#209;w           > 00 0A 93 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000177D1946DD0, 16 bytes long.
 Data: <&#216;	&#147;&#209;w           > D8 09 93 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000177D1946880, 16 bytes long.
 Data: <&#176;	&#147;&#209;w           > B0 09 93 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000177D1946CE0, 16 bytes long.
 Data: < 	&#147;&#209;w           > 88 09 93 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000177D193FF50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000177D19460B0, 16 bytes long.
 Data: <`	&#147;&#209;w           > 60 09 93 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000177D1930960, 320 bytes long.
 Data: <&#176;`&#148;&#209;w   P&#255;&#147;&#209;w   > B0 60 94 D1 77 01 00 00 50 FF 93 D1 77 01 00 00 
{278} normal block at 0x00000177D1946290, 16 bytes long.
 Data: < q&#148;&#209;w           > 20 71 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000177D1946970, 16 bytes long.
 Data: <&#248;p&#148;&#209;w           > F8 70 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000177D1940910, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000177D1946D80, 16 bytes long.
 Data: <&#208;p&#148;&#209;w           > D0 70 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000177D19404F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000177D19469C0, 16 bytes long.
 Data: < p&#148;&#209;w           > 18 70 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000177D19466F0, 16 bytes long.
 Data: <&#240;o&#148;&#209;w           > F0 6F 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000177D1946B00, 16 bytes long.
 Data: <&#200;o&#148;&#209;w           > C8 6F 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000177D1946150, 16 bytes long.
 Data: <&#160;o&#148;&#209;w           > A0 6F 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000177D1946010, 16 bytes long.
 Data: <xo&#148;&#209;w           > 78 6F 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000177D1946920, 16 bytes long.
 Data: <Po&#148;&#209;w           > 50 6F 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000177D19464C0, 16 bytes long.
 Data: <&#240;W&#148;&#209;w           > F0 57 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000177D19457F0, 40 bytes long.
 Data: <&#192;d&#148;&#209;w   @&#194;m&#211;w   > C0 64 94 D1 77 01 00 00 40 C2 6D D3 77 01 00 00 
{264} normal block at 0x00000177D1946C90, 16 bytes long.
 Data: <0o&#148;&#209;w           > 30 6F 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000177D19461F0, 16 bytes long.
 Data: < o&#148;&#209;w           > 08 6F 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000177D19403D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000177D1946600, 16 bytes long.
 Data: <&#224;n&#148;&#209;w           > E0 6E 94 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000177D1946EE0, 992 bytes long.
 Data: < f&#148;&#209;w   &#208; &#148;&#209;w   > 00 66 94 D1 77 01 00 00 D0 03 94 D1 77 01 00 00 
{96} normal block at 0x00000177D193FE30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000177D193E100, 16 bytes long.
 Data: < &#231;&#146;&#209;w           > 90 E7 92 D1 77 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000177D192E790, 40 bytes long.
 Data: < &#225;&#147;&#209;w   0&#254;&#147;&#209;w   > 00 E1 93 D1 77 01 00 00 30 FE 93 D1 77 01 00 00 
{73} normal block at 0x00000177D193E1F0, 16 bytes long.
 Data: < &#234; G&#246;           > 80 EA 17 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000177D193E6F0, 16 bytes long.
 Data: <@&#233; G&#246;           > 40 E9 17 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000177D193E790, 16 bytes long.
 Data: <&#248;W G&#246;           > F8 57 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000177D193E0B0, 16 bytes long.
 Data: <&#216;W G&#246;           > D8 57 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000177D193DC00, 16 bytes long.
 Data: <P  G&#246;           > 50 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000177D193DCF0, 16 bytes long.
 Data: <0  G&#246;           > 30 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000177D193E7E0, 16 bytes long.
 Data: <&#224;  G&#246;           > E0 02 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000177D193E560, 16 bytes long.
 Data: <   G&#246;           > 10 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000177D193E740, 16 bytes long.
 Data: <p  G&#246;           > 70 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000177D193E420, 16 bytes long.
 Data: < &#192; G&#246;           > 18 C0 12 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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