Task 38687344

Name test_739-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5626_1
Workunit 31628728
Created 28 Oct 2026, 7:17:19 UTC
Sent 28 Oct 2026, 7:17:24 UTC
Report deadline 2 Nov 2026, 7:17:24 UTC
Received 28 Oct 2026, 11:11:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609629
Run time 59 min 39 sec
CPU time 52 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,533.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.34 MB
Peak swap size 18.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:12:49 (10196): wrapper (7.9.26016): starting
12:12:49 (10196): 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
12:12:53 (10196): Library/usr/bin/tar.exe exited; CPU time 0.031250
12:12:53 (10196): 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\33\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\33\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
13:10:36 (10196): C:/Windows/system32/cmd.exe exited; CPU time 3165.515625
13:10:36 (10196): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 63399281 bytes.
Dumping objects ->
{3835246} normal block at 0x000002A75A6D5640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000002A75A6D5800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000002A75A6D5950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835213} normal block at 0x000002A75A6D5CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x000002A75A6D5C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835171} normal block at 0x000002A75C5328E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000002A75C5937C0, 180 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) : {3835157} normal block at 0x000002A75A6A6140, 8 bytes long.
 Data: <  e\&#167;   > 00 00 65 5C A7 02 00 00 
{3834550} normal block at 0x000002A75C593220, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000002A75A6A63C0, 8 bytes long.
 Data: <p&#167;iZ&#167;   > 70 A7 69 5A A7 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002A75A6AF9F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A75A695CD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000002A75A6B1480, 16 bytes long.
 Data: <x-kZ&#167;           > 78 2D 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A75A6B1070, 16 bytes long.
 Data: <P-kZ&#167;           > 50 2D 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A75A6ACD10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000002A75A6B1980, 16 bytes long.
 Data: <(-kZ&#167;           > 28 2D 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A75A6B0E90, 16 bytes long.
 Data: < -kZ&#167;           > 00 2D 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A75A6B1930, 16 bytes long.
 Data: <&#216;,kZ&#167;           > D8 2C 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A75A6B0EE0, 16 bytes long.
 Data: <&#176;,kZ&#167;           > B0 2C 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A75A6AAC00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000002A75A6B0D50, 16 bytes long.
 Data: <h\iZ&#167;           > 68 5C 69 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A75A6AC230, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000002A75A6B0DF0, 16 bytes long.
 Data: <@\iZ&#167;           > 40 5C 69 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A75A6B0B20, 16 bytes long.
 Data: < \iZ&#167;           > 18 5C 69 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A75A6B1890, 16 bytes long.
 Data: <&#240;[iZ&#167;           > F0 5B 69 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A75A6B1340, 16 bytes long.
 Data: <&#200;[iZ&#167;           > C8 5B 69 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A75A6B1660, 16 bytes long.
 Data: <&#160;[iZ&#167;           > A0 5B 69 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A75A6B0A80, 16 bytes long.
 Data: <x[iZ&#167;           > 78 5B 69 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A75A6ACD70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000002A75A6B0DA0, 16 bytes long.
 Data: <P[iZ&#167;           > 50 5B 69 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A75A695B50, 320 bytes long.
 Data: <&#160; kZ&#167;   p&#205;jZ&#167;   > A0 0D 6B 5A A7 02 00 00 70 CD 6A 5A A7 02 00 00 
{269} normal block at 0x000002A75A6B1840, 16 bytes long.
 Data: <&#144;,kZ&#167;           > 90 2C 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A75A6B17F0, 16 bytes long.
 Data: <h,kZ&#167;           > 68 2C 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A75A6ACE90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000002A75A6B13E0, 16 bytes long.
 Data: <@,kZ&#167;           > 40 2C 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A75A6AC9B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000002A75A6B18E0, 16 bytes long.
 Data: < +kZ&#167;           > 88 2B 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A75A6B0AD0, 16 bytes long.
 Data: <`+kZ&#167;           > 60 2B 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A75A6B1020, 16 bytes long.
 Data: <8+kZ&#167;           > 38 2B 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A75A6B1250, 16 bytes long.
 Data: < +kZ&#167;           > 10 2B 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A75A6B12F0, 16 bytes long.
 Data: <&#232;*kZ&#167;           > E8 2A 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A75A6B17A0, 16 bytes long.
 Data: <&#192;*kZ&#167;           > C0 2A 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A75A6B0C60, 16 bytes long.
 Data: <`&#176;jZ&#167;           > 60 B0 6A 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A75A6AB060, 40 bytes long.
 Data: <` kZ&#167;   &#224;(S\&#167;   > 60 0C 6B 5A A7 02 00 00 E0 28 53 5C A7 02 00 00 
{255} normal block at 0x000002A75A6B1610, 16 bytes long.
 Data: <&#160;*kZ&#167;           > A0 2A 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A75A6B0C10, 16 bytes long.
 Data: <x*kZ&#167;           > 78 2A 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002A75A6AC2F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000002A75A6B0CB0, 16 bytes long.
 Data: <P*kZ&#167;           > 50 2A 6B 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002A75A6B2A50, 992 bytes long.
 Data: <&#176; kZ&#167;   &#240;&#194;jZ&#167;   > B0 0C 6B 5A A7 02 00 00 F0 C2 6A 5A A7 02 00 00 
{87} normal block at 0x000002A75A6AC6B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000002A75A6A6AF0, 16 bytes long.
 Data: <@&#177;jZ&#167;           > 40 B1 6A 5A A7 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002A75A6AB140, 40 bytes long.
 Data: <&#240;jjZ&#167;   &#176;&#198;jZ&#167;   > F0 6A 6A 5A A7 02 00 00 B0 C6 6A 5A A7 02 00 00 
{64} normal block at 0x000002A75A6A61E0, 16 bytes long.
 Data: <&#128;&#234;&#239;'&#246;           > 80 EA EF 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A75A6A5F10, 16 bytes long.
 Data: <@&#233;&#239;'&#246;           > 40 E9 EF 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A75A6A6690, 16 bytes long.
 Data: <&#248;W&#236;'&#246;           > F8 57 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A75A6A5E70, 16 bytes long.
 Data: <&#216;W&#236;'&#246;           > D8 57 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A75A6A6640, 16 bytes long.
 Data: <P &#236;'&#246;           > 50 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A75A6A6DC0, 16 bytes long.
 Data: <0 &#236;'&#246;           > 30 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A75A6A6960, 16 bytes long.
 Data: <&#224; &#236;'&#246;           > E0 02 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A75A6A6CD0, 16 bytes long.
 Data: <  &#236;'&#246;           > 10 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A75A6A65F0, 16 bytes long.
 Data: <p &#236;'&#246;           > 70 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A75A6A6910, 16 bytes long.
 Data: < &#192;&#234;'&#246;           > 18 C0 EA 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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