Task 38685287

Name test_295-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6850_0
Workunit 31626762
Created 27 Oct 2026, 20:19:40 UTC
Sent 27 Oct 2026, 20:19:44 UTC
Report deadline 1 Nov 2026, 20:19:44 UTC
Received 27 Oct 2026, 21:26:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 28 sec
CPU time 36 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.52 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:48:51 (4284): wrapper (7.9.26016): starting
21:48:51 (4284): 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
21:48:52 (4284): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:48:52 (4284): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
22:25:19 (4284): C:/Windows/system32/cmd.exe exited; CPU time 2199.046875
22:25:19 (4284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26491813 bytes.
Dumping objects ->
{3835238} normal block at 0x000001B96E8D1250, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x000001B96E8D0F40, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x000001B96E8D07D0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x000001B96E8D1560, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x000001B96E8D13A0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x000001B96E97CB10, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x000001B96CE8C230, 160 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) : {3835149} normal block at 0x000001B96CDA6DC0, 8 bytes long.
 Data: <  &#215;l&#185;   > 00 00 D7 6C B9 01 00 00 
{3834546} normal block at 0x000001B96CE8BB30, 160 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 0x000001B96CDA6D70, 8 bytes long.
 Data: <   n&#185;   > 20 0D 90 6E B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001B96CDB2040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B96CD961F0, 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 0x000001B96CDB32B0, 16 bytes long.
 Data: <&#184;C&#219;l&#185;           > B8 43 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B96CDB4020, 16 bytes long.
 Data: < C&#219;l&#185;           > 90 43 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B96CDABAF0, 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 0x000001B96CDB3210, 16 bytes long.
 Data: <hC&#219;l&#185;           > 68 43 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B96CDB3D50, 16 bytes long.
 Data: <@C&#219;l&#185;           > 40 43 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B96CDB3B70, 16 bytes long.
 Data: < C&#219;l&#185;           > 18 43 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B96CDB3FD0, 16 bytes long.
 Data: <&#240;B&#219;l&#185;           > F0 42 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B96CDADE20, 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 0x000001B96CDB3170, 16 bytes long.
 Data: < a&#217;l&#185;           > 88 61 D9 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B96CDAC570, 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 0x000001B96CDB3670, 16 bytes long.
 Data: <`a&#217;l&#185;           > 60 61 D9 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B96CDB3B20, 16 bytes long.
 Data: <8a&#217;l&#185;           > 38 61 D9 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B96CDB3F80, 16 bytes long.
 Data: < a&#217;l&#185;           > 10 61 D9 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B96CDB3940, 16 bytes long.
 Data: <&#232;`&#217;l&#185;           > E8 60 D9 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B96CDB3AD0, 16 bytes long.
 Data: <&#192;`&#217;l&#185;           > C0 60 D9 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B96CDB3620, 16 bytes long.
 Data: < `&#217;l&#185;           > 98 60 D9 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B96CDAC030, 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 0x000001B96CDB39E0, 16 bytes long.
 Data: <p`&#217;l&#185;           > 70 60 D9 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B96CD96070, 320 bytes long.
 Data: <&#224;9&#219;l&#185;   0&#192;&#218;l&#185;   > E0 39 DB 6C B9 01 00 00 30 C0 DA 6C B9 01 00 00 
{270} normal block at 0x000001B96CDB3850, 16 bytes long.
 Data: <&#208;B&#219;l&#185;           > D0 42 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B96CDB3C60, 16 bytes long.
 Data: <&#168;B&#219;l&#185;           > A8 42 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B96CDAC330, 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 0x000001B96CDB30D0, 16 bytes long.
 Data: < B&#219;l&#185;           > 80 42 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B96CDAC2D0, 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 0x000001B96CDB3D00, 16 bytes long.
 Data: <&#200;A&#219;l&#185;           > C8 41 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B96CDB3A80, 16 bytes long.
 Data: <&#160;A&#219;l&#185;           > A0 41 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B96CDB3990, 16 bytes long.
 Data: <xA&#219;l&#185;           > 78 41 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B96CDB38F0, 16 bytes long.
 Data: <PA&#219;l&#185;           > 50 41 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B96CDB3580, 16 bytes long.
 Data: <(A&#219;l&#185;           > 28 41 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B96CDB3EE0, 16 bytes long.
 Data: < A&#219;l&#185;           > 00 41 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B96CDB3DF0, 16 bytes long.
 Data: <&#224;&#223;&#218;l&#185;           > E0 DF DA 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B96CDADFE0, 40 bytes long.
 Data: <&#240;=&#219;l&#185;    &#203;&#151;n&#185;   > F0 3D DB 6C B9 01 00 00 10 CB 97 6E B9 01 00 00 
{256} normal block at 0x000001B96CDB3DA0, 16 bytes long.
 Data: <&#224;@&#219;l&#185;           > E0 40 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B96CDB3800, 16 bytes long.
 Data: <&#184;@&#219;l&#185;           > B8 40 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B96CDAC270, 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 0x000001B96CDB3120, 16 bytes long.
 Data: < @&#219;l&#185;           > 90 40 DB 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B96CDB4090, 992 bytes long.
 Data: < 1&#219;l&#185;   p&#194;&#218;l&#185;   > 20 31 DB 6C B9 01 00 00 70 C2 DA 6C B9 01 00 00 
{88} normal block at 0x000001B96CDAC4B0, 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 0x000001B96CDA6BE0, 16 bytes long.
 Data: <p&#223;&#218;l&#185;           > 70 DF DA 6C B9 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001B96CDADF70, 40 bytes long.
 Data: <&#224;k&#218;l&#185;   &#176;&#196;&#218;l&#185;   > E0 6B DA 6C B9 01 00 00 B0 C4 DA 6C B9 01 00 00 
{65} normal block at 0x000001B96CDA6CD0, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B96CDA7B30, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B96CDA6E10, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B96CDA74A0, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B96CDA7630, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B96CDA7540, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B96CDA7400, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B96CDA7360, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B96CDA77C0, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B96CDA75E0, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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