Task 38674153

Name test_173-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5816_0
Workunit 31616199
Created 26 Oct 2026, 4:27:18 UTC
Sent 26 Oct 2026, 4:27:21 UTC
Report deadline 31 Oct 2026, 4:27:21 UTC
Received 26 Oct 2026, 5:00:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580951
Run time 30 min 14 sec
CPU time 28 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,926.93 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 662.83 MB
Peak swap size 3.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
05:29:30 (16128): wrapper (7.9.26016): starting
05:29:30 (16128): 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
05:29:32 (16128): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:29:32 (16128): 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
05:58:21 (16128): C:/Windows/system32/cmd.exe exited; CPU time 1701.093750
05:58:21 (16128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 26368383 bytes.
Dumping objects ->
{3835287} normal block at 0x000001E2D0BE16B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000001E2D0BE0A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001E2D0BE0990, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x000001E2D0BE1560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000001E2D0BE12C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x000001E2D0C918A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001E2CF26DE10, 145 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) : {3835198} normal block at 0x000001E2CF18B7D0, 8 bytes long.
 Data: <   &#207;&#226;   > 00 00 15 CF E2 01 00 00 
{3834558} normal block at 0x000001E2CF26D520, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001E2CF18BBE0, 8 bytes long.
 Data: < &#238; &#207;&#226;   > 90 EE 17 CF E2 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E2CF191310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E2CF17E3F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001E2CF197FF0, 16 bytes long.
 Data: <&#248;  &#207;&#226;           > F8 90 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E2CF197E60, 16 bytes long.
 Data: <&#208;  &#207;&#226;           > D0 90 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E2CF191EB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001E2CF198D60, 16 bytes long.
 Data: <&#168;  &#207;&#226;           > A8 90 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E2CF198400, 16 bytes long.
 Data: <   &#207;&#226;           > 80 90 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E2CF198590, 16 bytes long.
 Data: <X  &#207;&#226;           > 58 90 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E2CF197EB0, 16 bytes long.
 Data: <0  &#207;&#226;           > 30 90 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E2CF191B40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001E2CF197FA0, 16 bytes long.
 Data: <&#184;&#246; &#207;&#226;           > B8 F6 17 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E2CF1929F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001E2CF198D10, 16 bytes long.
 Data: < &#246; &#207;&#226;           > 90 F6 17 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E2CF198770, 16 bytes long.
 Data: <h&#246; &#207;&#226;           > 68 F6 17 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E2CF198C70, 16 bytes long.
 Data: <@&#246; &#207;&#226;           > 40 F6 17 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E2CF198360, 16 bytes long.
 Data: < &#246; &#207;&#226;           > 18 F6 17 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E2CF1986D0, 16 bytes long.
 Data: <&#240;&#245; &#207;&#226;           > F0 F5 17 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E2CF198C20, 16 bytes long.
 Data: <&#200;&#245; &#207;&#226;           > C8 F5 17 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E2CF1922D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001E2CF198310, 16 bytes long.
 Data: <&#160;&#245; &#207;&#226;           > A0 F5 17 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E2CF17F5A0, 320 bytes long.
 Data: < &#131; &#207;&#226;   &#208;" &#207;&#226;   > 10 83 19 CF E2 01 00 00 D0 22 19 CF E2 01 00 00 
{270} normal block at 0x000001E2CF198540, 16 bytes long.
 Data: <   &#207;&#226;           > 10 90 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E2CF1981D0, 16 bytes long.
 Data: <&#232;  &#207;&#226;           > E8 8F 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E2CF1924B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001E2CF198090, 16 bytes long.
 Data: <&#192;  &#207;&#226;           > C0 8F 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E2CF192930, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001E2CF1984A0, 16 bytes long.
 Data: <   &#207;&#226;           > 08 8F 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E2CF1989A0, 16 bytes long.
 Data: <&#224;&#142; &#207;&#226;           > E0 8E 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E2CF198720, 16 bytes long.
 Data: <&#184;&#142; &#207;&#226;           > B8 8E 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E2CF198BD0, 16 bytes long.
 Data: < &#142; &#207;&#226;           > 90 8E 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E2CF198AE0, 16 bytes long.
 Data: <h&#142; &#207;&#226;           > 68 8E 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E2CF198950, 16 bytes long.
 Data: <@&#142; &#207;&#226;           > 40 8E 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E2CF198900, 16 bytes long.
 Data: <`  &#207;&#226;           > 60 1A 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E2CF191A60, 40 bytes long.
 Data: < &#137; &#207;&#226;   &#160; &#201;&#208;&#226;   > 00 89 19 CF E2 01 00 00 A0 18 C9 D0 E2 01 00 00 
{256} normal block at 0x000001E2CF1989F0, 16 bytes long.
 Data: < &#142; &#207;&#226;           > 20 8E 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E2CF198680, 16 bytes long.
 Data: <&#248;  &#207;&#226;           > F8 8D 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E2CF191D30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001E2CF1988B0, 16 bytes long.
 Data: <&#208;  &#207;&#226;           > D0 8D 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E2CF198DD0, 992 bytes long.
 Data: <&#176;  &#207;&#226;   0  &#207;&#226;   > B0 88 19 CF E2 01 00 00 30 1D 19 CF E2 01 00 00 
{88} normal block at 0x000001E2CF192A50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001E2CF18BE60, 16 bytes long.
 Data: <&#208;  &#207;&#226;           > D0 1A 19 CF E2 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001E2CF191AD0, 40 bytes long.
 Data: <`&#190; &#207;&#226;   P* &#207;&#226;   > 60 BE 18 CF E2 01 00 00 50 2A 19 CF E2 01 00 00 
{65} normal block at 0x000001E2CF18BAF0, 16 bytes long.
 Data: < &#234;A &#246;           > 80 EA 41 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E2CF18BC80, 16 bytes long.
 Data: <@&#233;A &#246;           > 40 E9 41 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E2CF18BE10, 16 bytes long.
 Data: <&#248;W> &#246;           > F8 57 3E 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E2CF18C270, 16 bytes long.
 Data: <&#216;W> &#246;           > D8 57 3E 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E2CF18C220, 16 bytes long.
 Data: <P > &#246;           > 50 04 3E 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E2CF18B3C0, 16 bytes long.
 Data: <0 > &#246;           > 30 04 3E 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E2CF18C1D0, 16 bytes long.
 Data: <&#224; > &#246;           > E0 02 3E 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E2CF18BEB0, 16 bytes long.
 Data: <  > &#246;           > 10 04 3E 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E2CF18B8C0, 16 bytes long.
 Data: <p > &#246;           > 70 04 3E 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E2CF18BF50, 16 bytes long.
 Data: < &#192;< &#246;           > 18 C0 3C 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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