Task 38684575

Name test_559-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4092_0
Workunit 31626083
Created 27 Oct 2026, 16:59:47 UTC
Sent 27 Oct 2026, 16:59:51 UTC
Report deadline 1 Nov 2026, 16:59:51 UTC
Received 27 Oct 2026, 17:43:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630739
Run time 41 min 57 sec
CPU time 38 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.21 MB
Peak swap size 11.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:02:34 (3324): wrapper (7.9.26016): starting
13:02:34 (3324): 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
13:02:36 (3324): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:02:36 (3324): 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\28\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\28\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
13:42:29 (3324): C:/Windows/system32/cmd.exe exited; CPU time 2302.734375
13:42:29 (3324): 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: 50047787 bytes.
Dumping objects ->
{3835284} normal block at 0x00000265A3C6DDC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x00000265A1ED4740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000265A1ED46D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x00000265A1ED4AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000265A1ED4A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x00000265A3CB4680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000265A3CCE3C0, 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) : {3835195} normal block at 0x00000265A1ED0220, 8 bytes long.
 Data: <  A&#162;e   > 00 00 41 A2 65 02 00 00 
{3834571} normal block at 0x00000265A3CCE310, 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 0x00000265A1ECFA00, 8 bytes long.
 Data: < 9&#209;&#163;e   > 80 39 D1 A3 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000265A1EC6100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000265A1EC7CA0, 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 0x00000265A1ED5EC0, 16 bytes long.
 Data: < g&#237;&#161;e           > 08 67 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000265A1ED59C0, 16 bytes long.
 Data: <&#224;f&#237;&#161;e           > E0 66 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000265A1ED09E0, 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 0x00000265A1ED5970, 16 bytes long.
 Data: <&#184;f&#237;&#161;e           > B8 66 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000265A1ED5790, 16 bytes long.
 Data: < f&#237;&#161;e           > 90 66 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000265A1ED62D0, 16 bytes long.
 Data: <hf&#237;&#161;e           > 68 66 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000265A1ED5560, 16 bytes long.
 Data: <@f&#237;&#161;e           > 40 66 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000265A1ED4970, 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 0x00000265A1ED5E70, 16 bytes long.
 Data: <&#248;&#159;&#236;&#161;e           > F8 9F EC A1 65 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000265A1ED1580, 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 0x00000265A1ED5420, 16 bytes long.
 Data: <&#208;&#159;&#236;&#161;e           > D0 9F EC A1 65 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000265A1ED6230, 16 bytes long.
 Data: <&#168;&#159;&#236;&#161;e           > A8 9F EC A1 65 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000265A1ED60F0, 16 bytes long.
 Data: < &#159;&#236;&#161;e           > 80 9F EC A1 65 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000265A1ED60A0, 16 bytes long.
 Data: <X&#159;&#236;&#161;e           > 58 9F EC A1 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000265A1ED5920, 16 bytes long.
 Data: <0&#159;&#236;&#161;e           > 30 9F EC A1 65 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000265A1ED6190, 16 bytes long.
 Data: < &#159;&#236;&#161;e           > 08 9F EC A1 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000265A1ED08C0, 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 0x00000265A1ED5FB0, 16 bytes long.
 Data: <&#224;&#158;&#236;&#161;e           > E0 9E EC A1 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000265A1EC9EE0, 320 bytes long.
 Data: <&#176;_&#237;&#161;e   &#192; &#237;&#161;e   > B0 5F ED A1 65 02 00 00 C0 08 ED A1 65 02 00 00 
{277} normal block at 0x00000265A1ED5510, 16 bytes long.
 Data: < f&#237;&#161;e           > 20 66 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000265A1ED5E20, 16 bytes long.
 Data: <&#248;e&#237;&#161;e           > F8 65 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000265A1ED0CE0, 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 0x00000265A1ED5740, 16 bytes long.
 Data: <&#208;e&#237;&#161;e           > D0 65 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000265A1ED0980, 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 0x00000265A1ED6320, 16 bytes long.
 Data: < e&#237;&#161;e           > 18 65 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000265A1ED6280, 16 bytes long.
 Data: <&#240;d&#237;&#161;e           > F0 64 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000265A1ED56A0, 16 bytes long.
 Data: <&#200;d&#237;&#161;e           > C8 64 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000265A1ED6050, 16 bytes long.
 Data: <&#160;d&#237;&#161;e           > A0 64 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000265A1ED5A10, 16 bytes long.
 Data: <xd&#237;&#161;e           > 78 64 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000265A1ED5880, 16 bytes long.
 Data: <Pd&#237;&#161;e           > 50 64 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000265A1ED5B50, 16 bytes long.
 Data: <0K&#237;&#161;e           > 30 4B ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000265A1ED4B30, 40 bytes long.
 Data: <P[&#237;&#161;e    F&#203;&#163;e   > 50 5B ED A1 65 02 00 00 80 46 CB A3 65 02 00 00 
{263} normal block at 0x00000265A1ED5830, 16 bytes long.
 Data: <0d&#237;&#161;e           > 30 64 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000265A1ED57E0, 16 bytes long.
 Data: < d&#237;&#161;e           > 08 64 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000265A1ED07A0, 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 0x00000265A1ED5F60, 16 bytes long.
 Data: <&#224;c&#237;&#161;e           > E0 63 ED A1 65 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000265A1ED63E0, 992 bytes long.
 Data: <`_&#237;&#161;e   &#160; &#237;&#161;e   > 60 5F ED A1 65 02 00 00 A0 07 ED A1 65 02 00 00 
{95} normal block at 0x00000265A1ED0860, 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 0x00000265A1ECF8C0, 16 bytes long.
 Data: <`&#201;&#235;&#161;e           > 60 C9 EB A1 65 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000265A1EBC960, 40 bytes long.
 Data: <&#192;&#248;&#236;&#161;e   ` &#237;&#161;e   > C0 F8 EC A1 65 02 00 00 60 08 ED A1 65 02 00 00 
{72} normal block at 0x00000265A1ECFEB0, 16 bytes long.
 Data: < &#234;g[&#246;           > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000265A1ED0270, 16 bytes long.
 Data: <@&#233;g[&#246;           > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000265A1ECF820, 16 bytes long.
 Data: <&#248;Wd[&#246;           > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000265A1ED00E0, 16 bytes long.
 Data: <&#216;Wd[&#246;           > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000265A1ED03B0, 16 bytes long.
 Data: <P d[&#246;           > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000265A1ED0680, 16 bytes long.
 Data: <0 d[&#246;           > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000265A1ED0360, 16 bytes long.
 Data: <&#224; d[&#246;           > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000265A1ECFBE0, 16 bytes long.
 Data: <  d[&#246;           > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000265A1ECFCD0, 16 bytes long.
 Data: <p d[&#246;           > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000265A1ED0180, 16 bytes long.
 Data: < &#192;b[&#246;           > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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