Task 38688887

Name test_548-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2909_0
Workunit 31630184
Created 28 Oct 2026, 16:42:23 UTC
Sent 28 Oct 2026, 16:42:30 UTC
Report deadline 2 Nov 2026, 16:42:30 UTC
Received 28 Oct 2026, 16:57:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 48 sec
CPU time 12 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.35 MB
Peak swap size 13.14 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:43:22 (3516): wrapper (7.9.26016): starting
17:43:22 (3516): 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
17:43:23 (3516): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:43:23 (3516): 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
17:56:35 (3516): C:/Windows/system32/cmd.exe exited; CPU time 723.656250
17:56:35 (3516): 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: 10905867 bytes.
Dumping objects ->
{3835237} normal block at 0x000002395CD6D960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002395CD6DDC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002395CD6D7A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000002395CD6D9D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000002395AFA4CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x000002395CDB4A00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000002395CDCF5A0, 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) : {3835148} normal block at 0x000002395AF9DB80, 8 bytes long.
 Data: <  e[9   > 00 00 65 5B 39 02 00 00 
{3834544} normal block at 0x000002395CDCF4F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002395AF9D860, 8 bytes long.
 Data: <&#208;&#228; [9   > D0 E4 07 5B 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002395AFA1120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002395AF96EA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002395AFA6580, 16 bytes long.
 Data: < j&#250;Z9           > 08 6A FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002395AFA5860, 16 bytes long.
 Data: <&#224;i&#250;Z9           > E0 69 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002395AF9F250, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002395AFA5FE0, 16 bytes long.
 Data: <&#184;i&#250;Z9           > B8 69 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002395AFA5CC0, 16 bytes long.
 Data: < i&#250;Z9           > 90 69 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002395AFA5C20, 16 bytes long.
 Data: <hi&#250;Z9           > 68 69 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002395AFA6620, 16 bytes long.
 Data: <@i&#250;Z9           > 40 69 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002395AFA4E20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002395AFA5B80, 16 bytes long.
 Data: <&#184;U&#250;Z9           > B8 55 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002395AF9F4F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002395AFA5C70, 16 bytes long.
 Data: < U&#250;Z9           > 90 55 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002395AFA5F90, 16 bytes long.
 Data: <hU&#250;Z9           > 68 55 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002395AFA5B30, 16 bytes long.
 Data: <@U&#250;Z9           > 40 55 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002395AFA5770, 16 bytes long.
 Data: < U&#250;Z9           > 18 55 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002395AFA5AE0, 16 bytes long.
 Data: <&#240;T&#250;Z9           > F0 54 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002395AFA6030, 16 bytes long.
 Data: <&#200;T&#250;Z9           > C8 54 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002395AF9F6D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002395AFA5A90, 16 bytes long.
 Data: <&#160;T&#250;Z9           > A0 54 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002395AFA54A0, 320 bytes long.
 Data: < Z&#250;Z9   &#208;&#246;&#249;Z9   > 90 5A FA 5A 39 02 00 00 D0 F6 F9 5A 39 02 00 00 
{277} normal block at 0x000002395AFA5F40, 16 bytes long.
 Data: < i&#250;Z9           > 20 69 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002395AFA5A40, 16 bytes long.
 Data: <&#248;h&#250;Z9           > F8 68 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002395AF9EE30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002395AFA6120, 16 bytes long.
 Data: <&#208;h&#250;Z9           > D0 68 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002395AF9EFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002395AFA5EF0, 16 bytes long.
 Data: < h&#250;Z9           > 18 68 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002395AFA5EA0, 16 bytes long.
 Data: <&#240;g&#250;Z9           > F0 67 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002395AFA64E0, 16 bytes long.
 Data: <&#200;g&#250;Z9           > C8 67 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002395AFA5DB0, 16 bytes long.
 Data: <&#160;g&#250;Z9           > A0 67 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002395AFA5E50, 16 bytes long.
 Data: <xg&#250;Z9           > 78 67 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002395AFA59F0, 16 bytes long.
 Data: <Pg&#250;Z9           > 50 67 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002395AFA5BD0, 16 bytes long.
 Data: <&#176;M&#250;Z9           > B0 4D FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002395AFA4DB0, 40 bytes long.
 Data: <&#208;[&#250;Z9    J&#219;\9   > D0 5B FA 5A 39 02 00 00 00 4A DB 5C 39 02 00 00 
{263} normal block at 0x000002395AFA6210, 16 bytes long.
 Data: <0g&#250;Z9           > 30 67 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002395AFA59A0, 16 bytes long.
 Data: < g&#250;Z9           > 08 67 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002395AF9F3D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002395AFA63A0, 16 bytes long.
 Data: <&#224;f&#250;Z9           > E0 66 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002395AFA66E0, 992 bytes long.
 Data: <&#160;c&#250;Z9   &#208;&#243;&#249;Z9   > A0 63 FA 5A 39 02 00 00 D0 F3 F9 5A 39 02 00 00 
{95} normal block at 0x000002395AF9F070, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002395AF9D8B0, 16 bytes long.
 Data: <PI&#250;Z9           > 50 49 FA 5A 39 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002395AFA4950, 40 bytes long.
 Data: <&#176;&#216;&#249;Z9   p&#240;&#249;Z9   > B0 D8 F9 5A 39 02 00 00 70 F0 F9 5A 39 02 00 00 
{72} normal block at 0x000002395AF9E120, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002395AF9DA40, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002395AF9D3B0, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002395AF9D9F0, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002395AF9E300, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002395AF9D680, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002395AF9D810, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002395AF9DBD0, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002395AF9E080, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002395AF9D9A0, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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