Task 38669927

Name test_220-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6097_0
Workunit 31612220
Created 25 Oct 2026, 15:57:39 UTC
Sent 25 Oct 2026, 15:57:42 UTC
Report deadline 30 Oct 2026, 15:57:42 UTC
Received 25 Oct 2026, 16:34:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625666
Run time 35 min 29 sec
CPU time 32 min 9 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 693.79 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>
11:00:42 (31088): wrapper (7.9.26016): starting
11:00:42 (31088): 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
11:00:43 (31088): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:00:43 (31088): 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
11:33:33 (31088): C:/Windows/system32/cmd.exe exited; CPU time 1929.437500
11:33:33 (31088): 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: 36061116 bytes.
Dumping objects ->
{3835291} normal block at 0x000002432B6A0920, 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 0x000002432B7E6070, 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 0x000002432B7E6D90, 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 0x000002432B7E6A30, 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 0x000002432B7E6970, 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 0x000002432B6A0C30, 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 0x000002432B7A9170, 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 0x0000024329AB7E30, 8 bytes long.
 Data: <  Q+C   > 00 00 51 2B 43 02 00 00 
{3834574} normal block at 0x000002432B7A8EF0, 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 0x0000024329AB8420, 8 bytes long.
 Data: <`&#194;&#185;)C   > 60 C2 B9 29 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024329AC1C70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024329ABE290, 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 0x0000024329AC3890, 16 bytes long.
 Data: <(S&#172;)C           > 28 53 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024329AC3570, 16 bytes long.
 Data: < S&#172;)C           > 00 53 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024329ABC7D0, 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 0x0000024329AC3520, 16 bytes long.
 Data: <&#216;R&#172;)C           > D8 52 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024329AC34D0, 16 bytes long.
 Data: <&#176;R&#172;)C           > B0 52 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024329AC2BC0, 16 bytes long.
 Data: < R&#172;)C           > 88 52 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024329AC3480, 16 bytes long.
 Data: <`R&#172;)C           > 60 52 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024329ABE960, 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 0x0000024329AC35C0, 16 bytes long.
 Data: <(&#226;&#171;)C           > 28 E2 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024329ABC710, 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 0x0000024329AC3840, 16 bytes long.
 Data: < &#226;&#171;)C           > 00 E2 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024329AC32A0, 16 bytes long.
 Data: <&#216;&#225;&#171;)C           > D8 E1 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024329AC3250, 16 bytes long.
 Data: <&#176;&#225;&#171;)C           > B0 E1 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024329AC3070, 16 bytes long.
 Data: < &#225;&#171;)C           > 88 E1 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024329AC3200, 16 bytes long.
 Data: <`&#225;&#171;)C           > 60 E1 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024329AC32F0, 16 bytes long.
 Data: <8&#225;&#171;)C           > 38 E1 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024329ABCC50, 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 0x0000024329AC3020, 16 bytes long.
 Data: < &#225;&#171;)C           > 10 E1 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024329ABE110, 320 bytes long.
 Data: < 0&#172;)C   P&#204;&#171;)C   > 20 30 AC 29 43 02 00 00 50 CC AB 29 43 02 00 00 
{278} normal block at 0x0000024329AC3390, 16 bytes long.
 Data: <@R&#172;)C           > 40 52 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024329AC2F80, 16 bytes long.
 Data: < R&#172;)C           > 18 52 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024329ABC770, 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 0x0000024329AC38E0, 16 bytes long.
 Data: <&#240;Q&#172;)C           > F0 51 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024329ABC9B0, 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 0x0000024329AC3160, 16 bytes long.
 Data: <8Q&#172;)C           > 38 51 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024329AC2D50, 16 bytes long.
 Data: < Q&#172;)C           > 10 51 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024329AC37F0, 16 bytes long.
 Data: <&#232;P&#172;)C           > E8 50 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024329AC2EE0, 16 bytes long.
 Data: <&#192;P&#172;)C           > C0 50 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024329AC31B0, 16 bytes long.
 Data: < P&#172;)C           > 98 50 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024329AC3430, 16 bytes long.
 Data: <pP&#172;)C           > 70 50 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024329AC3700, 16 bytes long.
 Data: <&#160;&#231;&#171;)C           > A0 E7 AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024329ABE7A0, 40 bytes long.
 Data: < 7&#172;)C   0 j+C   > 00 37 AC 29 43 02 00 00 30 0C 6A 2B 43 02 00 00 
{264} normal block at 0x0000024329AC36B0, 16 bytes long.
 Data: <PP&#172;)C           > 50 50 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024329AC3110, 16 bytes long.
 Data: <(P&#172;)C           > 28 50 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024329ABD0D0, 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 0x0000024329AC37A0, 16 bytes long.
 Data: < P&#172;)C           > 00 50 AC 29 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024329AC5000, 992 bytes long.
 Data: <&#160;7&#172;)C   &#208;&#208;&#171;)C   > A0 37 AC 29 43 02 00 00 D0 D0 AB 29 43 02 00 00 
{96} normal block at 0x0000024329ABD070, 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 0x0000024329AB7DE0, 16 bytes long.
 Data: <@&#234;&#171;)C           > 40 EA AB 29 43 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000024329ABEA40, 40 bytes long.
 Data: <&#224;}&#171;)C   p&#208;&#171;)C   > E0 7D AB 29 43 02 00 00 70 D0 AB 29 43 02 00 00 
{73} normal block at 0x0000024329AB7A20, 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 0x0000024329AB8510, 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 0x0000024329AB86F0, 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 0x0000024329AB84C0, 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 0x0000024329AB7C50, 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 0x0000024329AB7C00, 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 0x0000024329AB7D90, 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 0x0000024329AB8380, 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 0x0000024329AB86A0, 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 0x0000024329AB7D40, 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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