Task 38649953

Name test_807-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND4745_1
Workunit 31594311
Created 23 Oct 2026, 22:26:18 UTC
Sent 23 Oct 2026, 22:39:08 UTC
Report deadline 28 Oct 2026, 22:39:08 UTC
Received 23 Oct 2026, 23:25:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625666
Run time 32 min 59 sec
CPU time 29 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.97 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:54:27 (2868): wrapper (7.9.26016): starting
17:54:27 (2868): 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
17:54:28 (2868): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:54:28 (2868): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
18:24:31 (2868): C:/Windows/system32/cmd.exe exited; CPU time 1767.796875
18:24:31 (2868): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 31746188 bytes.
Dumping objects ->
{3835291} normal block at 0x000001AF50601410, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835280} normal block at 0x000001AF50773F10, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835269} normal block at 0x000001AF50774630, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835258} normal block at 0x000001AF507755F0, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835247} normal block at 0x000001AF50774E70, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835216} normal block at 0x000001AF50601020, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835205} normal block at 0x000001AF5073B420, 85 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) : {3835202} normal block at 0x000001AF4EC87DD0, 8 bytes long.
 Data: <  aP&#175;   > 00 00 61 50 AF 01 00 00 
{3834574} normal block at 0x000001AF5073C140, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001AF4EC87AB0, 8 bytes long.
 Data: <&#192;$xP&#175;   > C0 24 78 50 AF 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001AF4EC919A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001AF4EC7DA90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001AF4EC92A30, 16 bytes long.
 Data: <&#168;N&#201;N&#175;           > A8 4E C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AF4EC92940, 16 bytes long.
 Data: < N&#201;N&#175;           > 80 4E C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AF4EC8C7B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001AF4EC93570, 16 bytes long.
 Data: <XN&#201;N&#175;           > 58 4E C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AF4EC92800, 16 bytes long.
 Data: <0N&#201;N&#175;           > 30 4E C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AF4EC92CB0, 16 bytes long.
 Data: < N&#201;N&#175;           > 08 4E C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AF4EC93390, 16 bytes long.
 Data: <&#224;M&#201;N&#175;           > E0 4D C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AF4EC8E6F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001AF4EC93480, 16 bytes long.
 Data: <h`&#199;N&#175;           > 68 60 C7 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AF4EC8C930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001AF4EC93200, 16 bytes long.
 Data: <@`&#199;N&#175;           > 40 60 C7 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AF4EC928F0, 16 bytes long.
 Data: < `&#199;N&#175;           > 18 60 C7 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AF4EC92C60, 16 bytes long.
 Data: <&#240;_&#199;N&#175;           > F0 5F C7 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AF4EC928A0, 16 bytes long.
 Data: <&#200;_&#199;N&#175;           > C8 5F C7 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AF4EC929E0, 16 bytes long.
 Data: <&#160;_&#199;N&#175;           > A0 5F C7 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AF4EC92C10, 16 bytes long.
 Data: <x_&#199;N&#175;           > 78 5F C7 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AF4EC8C870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001AF4EC92B70, 16 bytes long.
 Data: <P_&#199;N&#175;           > 50 5F C7 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AF4EC75F50, 320 bytes long.
 Data: <p+&#201;N&#175;   p&#200;&#200;N&#175;   > 70 2B C9 4E AF 01 00 00 70 C8 C8 4E AF 01 00 00 
{278} normal block at 0x000001AF4EC92AD0, 16 bytes long.
 Data: <&#192;M&#201;N&#175;           > C0 4D C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AF4EC93430, 16 bytes long.
 Data: < M&#201;N&#175;           > 98 4D C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AF4EC8CC30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001AF4EC92E90, 16 bytes long.
 Data: <pM&#201;N&#175;           > 70 4D C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AF4EC8D230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001AF4EC93520, 16 bytes long.
 Data: <&#184;L&#201;N&#175;           > B8 4C C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AF4EC932A0, 16 bytes long.
 Data: < L&#201;N&#175;           > 90 4C C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AF4EC92D00, 16 bytes long.
 Data: <hL&#201;N&#175;           > 68 4C C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AF4EC92990, 16 bytes long.
 Data: <@L&#201;N&#175;           > 40 4C C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AF4EC93110, 16 bytes long.
 Data: < L&#201;N&#175;           > 18 4C C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AF4EC930C0, 16 bytes long.
 Data: <&#240;K&#201;N&#175;           > F0 4B C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AF4EC931B0, 16 bytes long.
 Data: <&#176;&#232;&#200;N&#175;           > B0 E8 C8 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AF4EC8E8B0, 40 bytes long.
 Data: <&#176;1&#201;N&#175;     `P&#175;   > B0 31 C9 4E AF 01 00 00 20 10 60 50 AF 01 00 00 
{264} normal block at 0x000001AF4EC934D0, 16 bytes long.
 Data: <&#208;K&#201;N&#175;           > D0 4B C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AF4EC93160, 16 bytes long.
 Data: <&#168;K&#201;N&#175;           > A8 4B C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AF4EC8D5F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001AF4EC92850, 16 bytes long.
 Data: < K&#201;N&#175;           > 80 4B C9 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AF4EC94B80, 992 bytes long.
 Data: <P(&#201;N&#175;   &#240;&#213;&#200;N&#175;   > 50 28 C9 4E AF 01 00 00 F0 D5 C8 4E AF 01 00 00 
{96} normal block at 0x000001AF4EC8CF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001AF4EC88550, 16 bytes long.
 Data: < &#230;&#200;N&#175;           > 10 E6 C8 4E AF 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001AF4EC8E610, 40 bytes long.
 Data: <P&#133;&#200;N&#175;   0&#207;&#200;N&#175;   > 50 85 C8 4E AF 01 00 00 30 CF C8 4E AF 01 00 00 
{73} normal block at 0x000001AF4EC88410, 16 bytes long.
 Data: < &#234;&#210;&#150;&#246;           > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001AF4EC883C0, 16 bytes long.
 Data: <@&#233;&#210;&#150;&#246;           > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001AF4EC88370, 16 bytes long.
 Data: <&#248;W&#207;&#150;&#246;           > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AF4EC88320, 16 bytes long.
 Data: <&#216;W&#207;&#150;&#246;           > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AF4EC881E0, 16 bytes long.
 Data: <P &#207;&#150;&#246;           > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AF4EC886E0, 16 bytes long.
 Data: <0 &#207;&#150;&#246;           > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AF4EC88500, 16 bytes long.
 Data: <&#224; &#207;&#150;&#246;           > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AF4EC88460, 16 bytes long.
 Data: <  &#207;&#150;&#246;           > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AF4EC887D0, 16 bytes long.
 Data: <p &#207;&#150;&#246;           > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AF4EC88000, 16 bytes long.
 Data: < &#192;&#205;&#150;&#246;           > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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