Task 38684574

Name test_400-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7124_0
Workunit 31626082
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, 18:26:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630739
Run time 42 min 4 sec
CPU time 38 min 17 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 733.96 MB
Peak swap size 11.39 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:46:03 (20268): wrapper (7.9.26016): starting
13:46:03 (20268): 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
13:46:05 (20268): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:46:05 (20268): 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
14:25:53 (20268): C:/Windows/system32/cmd.exe exited; CPU time 2297.390625
14:25:53 (20268): 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: 49744335 bytes.
Dumping objects ->
{3835284} normal block at 0x0000026ED239D960, 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 0x0000026ED05F4660, 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 0x0000026ED05F4D60, 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 0x0000026ED05F47B0, 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 0x0000026ED05F4C80, 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 0x0000026ED23EBE00, 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 0x0000026ED23FE680, 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 0x0000026ED05EFD20, 8 bytes long.
 Data: <  X&#208;n   > 00 00 58 D0 6E 02 00 00 
{3834571} normal block at 0x0000026ED23FEEC0, 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 0x0000026ED05F0680, 8 bytes long.
 Data: < 9D&#210;n   > 80 39 44 D2 6E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026ED05E6380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026ED05E74C0, 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 0x0000026ED05F5470, 16 bytes long.
 Data: < g_&#208;n           > 08 67 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026ED05F5510, 16 bytes long.
 Data: <&#224;f_&#208;n           > E0 66 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026ED05F0E60, 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 0x0000026ED05F6370, 16 bytes long.
 Data: <&#184;f_&#208;n           > B8 66 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026ED05F6320, 16 bytes long.
 Data: < f_&#208;n           > 90 66 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026ED05F5E20, 16 bytes long.
 Data: <hf_&#208;n           > 68 66 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026ED05F5740, 16 bytes long.
 Data: <@f_&#208;n           > 40 66 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026ED05F4CF0, 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 0x0000026ED05F5C90, 16 bytes long.
 Data: <&#248;&#159;^&#208;n           > F8 9F 5E D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026ED05F10A0, 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 0x0000026ED05F5BF0, 16 bytes long.
 Data: <&#208;&#159;^&#208;n           > D0 9F 5E D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026ED05F5A10, 16 bytes long.
 Data: <&#168;&#159;^&#208;n           > A8 9F 5E D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026ED05F5600, 16 bytes long.
 Data: < &#159;^&#208;n           > 80 9F 5E D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026ED05F6190, 16 bytes long.
 Data: <X&#159;^&#208;n           > 58 9F 5E D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026ED05F5880, 16 bytes long.
 Data: <0&#159;^&#208;n           > 30 9F 5E D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026ED05F5650, 16 bytes long.
 Data: < &#159;^&#208;n           > 08 9F 5E D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026ED05F12E0, 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 0x0000026ED05F5920, 16 bytes long.
 Data: <&#224;&#158;^&#208;n           > E0 9E 5E D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026ED05E9EE0, 320 bytes long.
 Data: < Y_&#208;n   &#224; _&#208;n   > 20 59 5F D0 6E 02 00 00 E0 12 5F D0 6E 02 00 00 
{277} normal block at 0x0000026ED05F57E0, 16 bytes long.
 Data: < f_&#208;n           > 20 66 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026ED05F5420, 16 bytes long.
 Data: <&#248;e_&#208;n           > F8 65 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026ED05F0B60, 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 0x0000026ED05F6280, 16 bytes long.
 Data: <&#208;e_&#208;n           > D0 65 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026ED05F0F80, 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 0x0000026ED05F6230, 16 bytes long.
 Data: < e_&#208;n           > 18 65 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026ED05F6140, 16 bytes long.
 Data: <&#240;d_&#208;n           > F0 64 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026ED05F5F10, 16 bytes long.
 Data: <&#200;d_&#208;n           > C8 64 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026ED05F5B50, 16 bytes long.
 Data: <&#160;d_&#208;n           > A0 64 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026ED05F5830, 16 bytes long.
 Data: <xd_&#208;n           > 78 64 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026ED05F56F0, 16 bytes long.
 Data: <Pd_&#208;n           > 50 64 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026ED05F58D0, 16 bytes long.
 Data: <&#208;F_&#208;n           > D0 46 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026ED05F46D0, 40 bytes long.
 Data: <&#208;X_&#208;n    &#190;>&#210;n   > D0 58 5F D0 6E 02 00 00 00 BE 3E D2 6E 02 00 00 
{263} normal block at 0x0000026ED05F62D0, 16 bytes long.
 Data: <0d_&#208;n           > 30 64 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026ED05F60F0, 16 bytes long.
 Data: < d_&#208;n           > 08 64 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026ED05F0C20, 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 0x0000026ED05F60A0, 16 bytes long.
 Data: <&#224;c_&#208;n           > E0 63 5F D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026ED05F63E0, 992 bytes long.
 Data: <&#160;`_&#208;n     _&#208;n   > A0 60 5F D0 6E 02 00 00 20 0C 5F D0 6E 02 00 00 
{95} normal block at 0x0000026ED05F0A40, 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 0x0000026ED05EFAF0, 16 bytes long.
 Data: <`&#201;]&#208;n           > 60 C9 5D D0 6E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000026ED05DC960, 40 bytes long.
 Data: <&#240;&#250;^&#208;n   @ _&#208;n   > F0 FA 5E D0 6E 02 00 00 40 0A 5F D0 6E 02 00 00 
{72} normal block at 0x0000026ED05EFC80, 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 0x0000026ED05F0130, 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 0x0000026ED05EFFF0, 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 0x0000026ED05EFFA0, 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 0x0000026ED05EFAA0, 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 0x0000026ED05F05E0, 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 0x0000026ED05F0540, 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 0x0000026ED05EFBE0, 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 0x0000026ED05EF870, 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 0x0000026ED05EF8C0, 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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