Task 38674325

Name test_834-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8819_0
Workunit 31616369
Created 26 Oct 2026, 4:58:59 UTC
Sent 26 Oct 2026, 4:59:04 UTC
Report deadline 31 Oct 2026, 4:59:04 UTC
Received 26 Oct 2026, 6:01:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 25 min 15 sec
CPU time 24 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.15 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:36:32 (43412): wrapper (7.9.26016): starting
01:36:32 (43412): 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
01:36:33 (43412): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:36:33 (43412): 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\16\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\16\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
02:00:56 (43412): C:/Windows/system32/cmd.exe exited; CPU time 1445.375000
02:00:56 (43412): 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: 36136207 bytes.
Dumping objects ->
{3835437} normal block at 0x0000020A71CAD960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x0000020A6FFB5890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x0000020A6FFB5820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x0000020A6FFB56D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000020A6FFB5660, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x0000020A71CF7B80, 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) : {3835349} normal block at 0x0000020A6FFB0200, 8 bytes long.
 Data: <  <p    > 00 00 3C 70 0A 02 00 00 
{3833965} normal block at 0x0000020A6FFB01B0, 8 bytes long.
 Data: <p&#235;&#249;o    > 70 EB F9 6F 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020A6FFB2930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020A6FFA6910, 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 0x0000020A6FFB67F0, 16 bytes long.
 Data: <&#248;s&#251;o            > F8 73 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020A6FFB64D0, 16 bytes long.
 Data: <&#208;s&#251;o            > D0 73 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020A6FFAE3D0, 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 0x0000020A6FFB6480, 16 bytes long.
 Data: <&#168;s&#251;o            > A8 73 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020A6FFB6430, 16 bytes long.
 Data: < s&#251;o            > 80 73 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020A6FFB6890, 16 bytes long.
 Data: <Xs&#251;o            > 58 73 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020A6FFB62A0, 16 bytes long.
 Data: <0s&#251;o            > 30 73 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020A6FFB55F0, 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 0x0000020A6FFB63E0, 16 bytes long.
 Data: <&#200;&#246;&#250;o            > C8 F6 FA 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020A6FFAE2B0, 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 0x0000020A6FFB67A0, 16 bytes long.
 Data: <&#160;&#246;&#250;o            > A0 F6 FA 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020A6FFB65C0, 16 bytes long.
 Data: <x&#246;&#250;o            > 78 F6 FA 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020A6FFB6F20, 16 bytes long.
 Data: <P&#246;&#250;o            > 50 F6 FA 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A6FFB6840, 16 bytes long.
 Data: <(&#246;&#250;o            > 28 F6 FA 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020A6FFB6B10, 16 bytes long.
 Data: < &#246;&#250;o            > 00 F6 FA 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020A6FFB6750, 16 bytes long.
 Data: <&#216;&#245;&#250;o            > D8 F5 FA 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020A6FFADE30, 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 0x0000020A6FFB6340, 16 bytes long.
 Data: <&#176;&#245;&#250;o            > B0 F5 FA 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020A6FFAF5B0, 320 bytes long.
 Data: <@c&#251;o    0&#222;&#250;o    > 40 63 FB 6F 0A 02 00 00 30 DE FA 6F 0A 02 00 00 
{278} normal block at 0x0000020A6FFB6DE0, 16 bytes long.
 Data: < s&#251;o            > 10 73 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A6FFB6C50, 16 bytes long.
 Data: <&#232;r&#251;o            > E8 72 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020A6FFAE730, 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 0x0000020A6FFB6250, 16 bytes long.
 Data: <&#192;r&#251;o            > C0 72 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020A6FFADB30, 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 0x0000020A6FFB6ED0, 16 bytes long.
 Data: < r&#251;o            > 08 72 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A6FFB6AC0, 16 bytes long.
 Data: <&#224;q&#251;o            > E0 71 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020A6FFB6700, 16 bytes long.
 Data: <&#184;q&#251;o            > B8 71 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020A6FFB66B0, 16 bytes long.
 Data: < q&#251;o            > 90 71 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020A6FFB6570, 16 bytes long.
 Data: <hq&#251;o            > 68 71 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020A6FFB6E30, 16 bytes long.
 Data: <@q&#251;o            > 40 71 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020A6FFB6E80, 16 bytes long.
 Data: <PZ&#251;o            > 50 5A FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020A6FFB5A50, 40 bytes long.
 Data: < n&#251;o     {&#207;q    > 80 6E FB 6F 0A 02 00 00 80 7B CF 71 0A 02 00 00 
{264} normal block at 0x0000020A6FFB6660, 16 bytes long.
 Data: < q&#251;o            > 20 71 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020A6FFB6200, 16 bytes long.
 Data: <&#248;p&#251;o            > F8 70 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020A6FFAE430, 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 0x0000020A6FFB6930, 16 bytes long.
 Data: <&#208;p&#251;o            > D0 70 FB 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020A6FFB70D0, 992 bytes long.
 Data: <0i&#251;o    0&#228;&#250;o    > 30 69 FB 6F 0A 02 00 00 30 E4 FA 6F 0A 02 00 00 
{96} normal block at 0x0000020A6FFAE370, 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 0x0000020A6FFB0160, 16 bytes long.
 Data: < &#221;&#249;o            > 90 DD F9 6F 0A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000020A6FF9DD90, 40 bytes long.
 Data: <` &#251;o    p&#227;&#250;o    > 60 01 FB 6F 0A 02 00 00 70 E3 FA 6F 0A 02 00 00 
{73} normal block at 0x0000020A6FFAFDF0, 16 bytes long.
 Data: < &#234;&#215;&#224;&#247;           > 80 EA D7 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020A6FFB0110, 16 bytes long.
 Data: <@&#233;&#215;&#224;&#247;           > 40 E9 D7 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020A6FFB02A0, 16 bytes long.
 Data: <&#248;W&#212;&#224;&#247;           > F8 57 D4 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020A6FFAFE90, 16 bytes long.
 Data: <&#216;W&#212;&#224;&#247;           > D8 57 D4 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020A6FFAFF30, 16 bytes long.
 Data: <P &#212;&#224;&#247;           > 50 04 D4 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020A6FFAFD50, 16 bytes long.
 Data: <0 &#212;&#224;&#247;           > 30 04 D4 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020A6FFB0840, 16 bytes long.
 Data: <&#224; &#212;&#224;&#247;           > E0 02 D4 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020A6FFB0A20, 16 bytes long.
 Data: <  &#212;&#224;&#247;           > 10 04 D4 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A6FFB0660, 16 bytes long.
 Data: <p &#212;&#224;&#247;           > 70 04 D4 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020A6FFB07F0, 16 bytes long.
 Data: < &#192;&#210;&#224;&#247;           > 18 C0 D2 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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