Task 38679034

Name test_532-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5048_0
Workunit 31620830
Created 26 Oct 2026, 19:16:44 UTC
Sent 26 Oct 2026, 19:16:47 UTC
Report deadline 31 Oct 2026, 19:16:47 UTC
Received 26 Oct 2026, 20:21:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 25 min 11 sec
CPU time 21 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.16 MB
Peak swap size 10.00 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:57:25 (19108): wrapper (7.9.26016): starting
20:57:25 (19108): 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
20:57:26 (19108): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:57:26 (19108): 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\3\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\3\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
21:21:02 (19108): C:/Windows/system32/cmd.exe exited; CPU time 1306.171875
21:21:02 (19108): 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: 27981401 bytes.
Dumping objects ->
{3835202} normal block at 0x0000022229C0D960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000022229C0CD90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000022229C0D420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000022229C0CD20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000022227F94F20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000022229C54B10, 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) : {3835114} normal block at 0x0000022227F8FAE0, 8 bytes long.
 Data: <  &#242;'"   > 00 00 F2 27 22 02 00 00 
{3833965} normal block at 0x0000022227F8FA90, 8 bytes long.
 Data: < >&#203;)"   > 10 3E CB 29 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000022227F90FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022227F869B0, 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 0x0000022227F95D80, 16 bytes long.
 Data: <&#248;Z&#249;'"           > F8 5A F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022227F95D30, 16 bytes long.
 Data: <&#208;Z&#249;'"           > D0 5A F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022227F8DB10, 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 0x0000022227F96780, 16 bytes long.
 Data: <&#168;Z&#249;'"           > A8 5A F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022227F96000, 16 bytes long.
 Data: < Z&#249;'"           > 80 5A F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022227F96410, 16 bytes long.
 Data: <XZ&#249;'"           > 58 5A F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022227F96320, 16 bytes long.
 Data: <0Z&#249;'"           > 30 5A F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022227F94D60, 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 0x0000022227F965F0, 16 bytes long.
 Data: < &#245;&#247;'"           > 98 F5 F7 27 22 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022227F8E050, 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 0x0000022227F963C0, 16 bytes long.
 Data: <p&#245;&#247;'"           > 70 F5 F7 27 22 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022227F96820, 16 bytes long.
 Data: <H&#245;&#247;'"           > 48 F5 F7 27 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022227F95C90, 16 bytes long.
 Data: < &#245;&#247;'"           > 20 F5 F7 27 22 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022227F96730, 16 bytes long.
 Data: <&#248;&#244;&#247;'"           > F8 F4 F7 27 22 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022227F967D0, 16 bytes long.
 Data: <&#208;&#244;&#247;'"           > D0 F4 F7 27 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022227F95CE0, 16 bytes long.
 Data: <&#168;&#244;&#247;'"           > A8 F4 F7 27 22 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022227F8D810, 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 0x0000022227F960F0, 16 bytes long.
 Data: < &#244;&#247;'"           > 80 F4 F7 27 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022227F7F480, 320 bytes long.
 Data: <&#240;`&#249;'"    &#216;&#248;'"   > F0 60 F9 27 22 02 00 00 10 D8 F8 27 22 02 00 00 
{278} normal block at 0x0000022227F96140, 16 bytes long.
 Data: < Z&#249;'"           > 10 5A F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022227F96370, 16 bytes long.
 Data: <&#232;Y&#249;'"           > E8 59 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022227F8E0B0, 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 0x0000022227F96500, 16 bytes long.
 Data: <&#192;Y&#249;'"           > C0 59 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022227F8E1D0, 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 0x0000022227F96280, 16 bytes long.
 Data: < Y&#249;'"           > 08 59 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022227F960A0, 16 bytes long.
 Data: <&#224;X&#249;'"           > E0 58 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022227F95FB0, 16 bytes long.
 Data: <&#184;X&#249;'"           > B8 58 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022227F95F60, 16 bytes long.
 Data: < X&#249;'"           > 90 58 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022227F95EC0, 16 bytes long.
 Data: <hX&#249;'"           > 68 58 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022227F8F0E0, 16 bytes long.
 Data: <@X&#249;'"           > 40 58 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022227F8FBD0, 16 bytes long.
 Data: < L&#249;'"           > 10 4C F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022227F94C10, 40 bytes long.
 Data: <&#208;&#251;&#248;'"    K&#197;)"   > D0 FB F8 27 22 02 00 00 10 4B C5 29 22 02 00 00 
{264} normal block at 0x0000022227F8F220, 16 bytes long.
 Data: < X&#249;'"           > 20 58 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022227F8FB80, 16 bytes long.
 Data: <&#248;W&#249;'"           > F8 57 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022227F8DF30, 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 0x0000022227F8FB30, 16 bytes long.
 Data: <&#208;W&#249;'"           > D0 57 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022227F957D0, 992 bytes long.
 Data: <0&#251;&#248;'"   0&#223;&#248;'"   > 30 FB F8 27 22 02 00 00 30 DF F8 27 22 02 00 00 
{96} normal block at 0x0000022227F8D990, 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 0x0000022227F8F270, 16 bytes long.
 Data: <pP&#249;'"           > 70 50 F9 27 22 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000022227F95070, 40 bytes long.
 Data: <p&#242;&#248;'"    &#217;&#248;'"   > 70 F2 F8 27 22 02 00 00 90 D9 F8 27 22 02 00 00 
{73} normal block at 0x0000022227F8EF50, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022227F8EE60, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022227F8F720, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022227F8F7C0, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022227F8F090, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022227F8F590, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022227F8F6D0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022227F8F040, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022227F8F360, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022227F8F1D0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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