Task 38688799

Name test_212-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8416_0
Workunit 31630114
Created 28 Oct 2026, 16:13:15 UTC
Sent 28 Oct 2026, 16:13:24 UTC
Report deadline 2 Nov 2026, 16:13:24 UTC
Received 28 Oct 2026, 17:48:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654638
Run time 54 min 48 sec
CPU time 48 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,725.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.94 MB
Peak swap size 5.43 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:54:19 (38872): wrapper (7.9.26016): starting
17:54:20 (38872): 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
17:54:22 (38872): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:54:22 (38872): 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
18:47:00 (38872): C:/Windows/system32/cmd.exe exited; CPU time 2896.609375
18:47:00 (38872): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 72339597 bytes.
Dumping objects ->
{3835438} normal block at 0x00000229B9FCB2D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000229B9FCB340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x00000229B9FCAD20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835405} normal block at 0x00000229B9FA5650, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x00000229B9FA5500, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835363} normal block at 0x00000229BBC15EF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835349} normal block at 0x00000229B9F9E5B0, 8 bytes long.
 Data: <  A&#186;)   > 00 00 41 BA 29 02 00 00 
{3833967} normal block at 0x00000229B9F9E7E0, 8 bytes long.
 Data: <&#240;P&#202;&#187;)   > F0 50 CA BB 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000229B9FA1900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000229B9F971D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000229B9FA6220, 16 bytes long.
 Data: <8r&#250;&#185;)           > 38 72 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000229B9FA6090, 16 bytes long.
 Data: < r&#250;&#185;)           > 10 72 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000229B9FA0030, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000229B9FA63B0, 16 bytes long.
 Data: <&#232;q&#250;&#185;)           > E8 71 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000229B9FA6540, 16 bytes long.
 Data: <&#192;q&#250;&#185;)           > C0 71 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000229B9FA6BD0, 16 bytes long.
 Data: < q&#250;&#185;)           > 98 71 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000229B9FA64A0, 16 bytes long.
 Data: <pq&#250;&#185;)           > 70 71 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000229B9FA5A40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000229B9FA6AE0, 16 bytes long.
 Data: <X&#250;&#248;&#185;)           > 58 FA F8 B9 29 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000229B9FA05D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000229B9FA5FF0, 16 bytes long.
 Data: <0&#250;&#248;&#185;)           > 30 FA F8 B9 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229B9FA62C0, 16 bytes long.
 Data: < &#250;&#248;&#185;)           > 08 FA F8 B9 29 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000229B9FA6900, 16 bytes long.
 Data: <&#224;&#249;&#248;&#185;)           > E0 F9 F8 B9 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000229B9FA6450, 16 bytes long.
 Data: <&#184;&#249;&#248;&#185;)           > B8 F9 F8 B9 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000229B9FA6D10, 16 bytes long.
 Data: < &#249;&#248;&#185;)           > 90 F9 F8 B9 29 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000229B9FA61D0, 16 bytes long.
 Data: <h&#249;&#248;&#185;)           > 68 F9 F8 B9 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000229B9F9FEB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000229B9FA6310, 16 bytes long.
 Data: <@&#249;&#248;&#185;)           > 40 F9 F8 B9 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229B9F8F940, 320 bytes long.
 Data: < c&#250;&#185;)   &#176;&#254;&#249;&#185;)   > 10 63 FA B9 29 02 00 00 B0 FE F9 B9 29 02 00 00 
{279} normal block at 0x00000229B9FA6B80, 16 bytes long.
 Data: <Pq&#250;&#185;)           > 50 71 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000229B9FA5FA0, 16 bytes long.
 Data: <(q&#250;&#185;)           > 28 71 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229B9F9FA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000229B9FA64F0, 16 bytes long.
 Data: < q&#250;&#185;)           > 00 71 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000229B9FA02D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000229B9FA6040, 16 bytes long.
 Data: <Hp&#250;&#185;)           > 48 70 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000229B9FA6360, 16 bytes long.
 Data: < p&#250;&#185;)           > 20 70 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229B9FA6DB0, 16 bytes long.
 Data: <&#248;o&#250;&#185;)           > F8 6F FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000229B9FA65E0, 16 bytes long.
 Data: <&#208;o&#250;&#185;)           > D0 6F FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000229B9FA6D60, 16 bytes long.
 Data: <&#168;o&#250;&#185;)           > A8 6F FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000229B9FA68B0, 16 bytes long.
 Data: < o&#250;&#185;)           > 80 6F FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229B9FA6810, 16 bytes long.
 Data: < X&#250;&#185;)           > 80 58 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000229B9FA5880, 40 bytes long.
 Data: < h&#250;&#185;)   &#240;^&#193;&#187;)   > 10 68 FA B9 29 02 00 00 F0 5E C1 BB 29 02 00 00 
{265} normal block at 0x00000229B9FA60E0, 16 bytes long.
 Data: <`o&#250;&#185;)           > 60 6F FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229B9FA6B30, 16 bytes long.
 Data: <8o&#250;&#185;)           > 38 6F FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000229B9F9FF70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000229B9FA6E50, 16 bytes long.
 Data: < o&#250;&#185;)           > 10 6F FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229B9FA6F10, 992 bytes long.
 Data: <Pn&#250;&#185;)   p&#255;&#249;&#185;)   > 50 6E FA B9 29 02 00 00 70 FF F9 B9 29 02 00 00 
{97} normal block at 0x00000229B9F9F910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000229B9F9D9D0, 16 bytes long.
 Data: < X&#250;&#185;)           > 10 58 FA B9 29 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000229B9FA5810, 40 bytes long.
 Data: <&#208;&#217;&#249;&#185;)    &#249;&#249;&#185;)   > D0 D9 F9 B9 29 02 00 00 10 F9 F9 B9 29 02 00 00 
{74} normal block at 0x00000229B9F9D930, 16 bytes long.
 Data: < &#234;&#239;&#149;&#246;           > 80 EA EF 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000229B9F9DB60, 16 bytes long.
 Data: <@&#233;&#239;&#149;&#246;           > 40 E9 EF 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000229B9F9E0B0, 16 bytes long.
 Data: <&#248;W&#236;&#149;&#246;           > F8 57 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000229B9F9DC00, 16 bytes long.
 Data: <&#216;W&#236;&#149;&#246;           > D8 57 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000229B9F9E240, 16 bytes long.
 Data: <P &#236;&#149;&#246;           > 50 04 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000229B9F9DB10, 16 bytes long.
 Data: <0 &#236;&#149;&#246;           > 30 04 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000229B9F9DAC0, 16 bytes long.
 Data: <&#224; &#236;&#149;&#246;           > E0 02 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000229B9F9DD90, 16 bytes long.
 Data: <  &#236;&#149;&#246;           > 10 04 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000229B9F9DA70, 16 bytes long.
 Data: <p &#236;&#149;&#246;           > 70 04 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000229B9F9E290, 16 bytes long.
 Data: < &#192;&#234;&#149;&#246;           > 18 C0 EA 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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