Task 38678175

Name test_708-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8857_1
Workunit 31619925
Created 26 Oct 2026, 16:36:31 UTC
Sent 26 Oct 2026, 16:36:33 UTC
Report deadline 31 Oct 2026, 16:36:33 UTC
Received 26 Oct 2026, 17:10:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 30 sec
CPU time 30 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.61 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:38:19 (14636): wrapper (7.9.26016): starting
17:38:19 (14636): 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
17:38:21 (14636): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:38:21 (14636): 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\6\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\6\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
18:10:25 (14636): C:/Windows/system32/cmd.exe exited; CPU time 1844.093750
18:10:25 (14636): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25647455 bytes.
Dumping objects ->
{3835311} normal block at 0x000002B797E1A000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000002B797E1ACB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000002B797DF4D50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000002B797DF4F10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002B797DF4CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000002B799B5AF80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002B797E5A300, 141 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) : {3835222} normal block at 0x000002B797DEF380, 8 bytes long.
 Data: <  - &#183;   > 00 00 2D 98 B7 02 00 00 
{3834575} normal block at 0x000002B797E5A4A0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002B797DEEA70, 8 bytes long.
 Data: <`&#145;&#225;&#151;&#183;   > 60 91 E1 97 B7 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002B797DF0950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B797DE5B20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002B797DF62D0, 16 bytes long.
 Data: < g&#223;&#151;&#183;           > 08 67 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B797DF5C90, 16 bytes long.
 Data: <&#224;f&#223;&#151;&#183;           > E0 66 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B797DEFAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002B797DF5A10, 16 bytes long.
 Data: <&#184;f&#223;&#151;&#183;           > B8 66 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B797DF5470, 16 bytes long.
 Data: < f&#223;&#151;&#183;           > 90 66 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B797DF60F0, 16 bytes long.
 Data: <hf&#223;&#151;&#183;           > 68 66 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B797DF6050, 16 bytes long.
 Data: <@f&#223;&#151;&#183;           > 40 66 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B797DF4810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002B797DF6140, 16 bytes long.
 Data: <h&#180;&#221;&#151;&#183;           > 68 B4 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B797DEFC80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002B797DF5740, 16 bytes long.
 Data: <@&#180;&#221;&#151;&#183;           > 40 B4 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B797DF5790, 16 bytes long.
 Data: < &#180;&#221;&#151;&#183;           > 18 B4 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B797DF6000, 16 bytes long.
 Data: <&#240;&#179;&#221;&#151;&#183;           > F0 B3 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B797DF58D0, 16 bytes long.
 Data: <&#200;&#179;&#221;&#151;&#183;           > C8 B3 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B797DF5B00, 16 bytes long.
 Data: <&#160;&#179;&#221;&#151;&#183;           > A0 B3 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B797DF5FB0, 16 bytes long.
 Data: <x&#179;&#221;&#151;&#183;           > 78 B3 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B797DEF500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002B797DF5B50, 16 bytes long.
 Data: <P&#179;&#221;&#151;&#183;           > 50 B3 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B797DDB350, 320 bytes long.
 Data: <P[&#223;&#151;&#183;    &#245;&#222;&#151;&#183;   > 50 5B DF 97 B7 02 00 00 00 F5 DE 97 B7 02 00 00 
{274} normal block at 0x000002B797DF5510, 16 bytes long.
 Data: < f&#223;&#151;&#183;           > 20 66 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B797DF57E0, 16 bytes long.
 Data: <&#248;e&#223;&#151;&#183;           > F8 65 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B797DEFDA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002B797DF5F10, 16 bytes long.
 Data: <&#208;e&#223;&#151;&#183;           > D0 65 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B797DEFF80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002B797DF56A0, 16 bytes long.
 Data: < e&#223;&#151;&#183;           > 18 65 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B797DF5DD0, 16 bytes long.
 Data: <&#240;d&#223;&#151;&#183;           > F0 64 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B797DF60A0, 16 bytes long.
 Data: <&#200;d&#223;&#151;&#183;           > C8 64 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B797DF5A60, 16 bytes long.
 Data: <&#160;d&#223;&#151;&#183;           > A0 64 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B797DF5D80, 16 bytes long.
 Data: <xd&#223;&#151;&#183;           > 78 64 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B797DF5E70, 16 bytes long.
 Data: <Pd&#223;&#151;&#183;           > 50 64 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B797DF59C0, 16 bytes long.
 Data: <`I&#223;&#151;&#183;           > 60 49 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B797DF4960, 40 bytes long.
 Data: <&#192;Y&#223;&#151;&#183;    &#175;&#181; &#183;   > C0 59 DF 97 B7 02 00 00 80 AF B5 99 B7 02 00 00 
{260} normal block at 0x000002B797DF5650, 16 bytes long.
 Data: <0d&#223;&#151;&#183;           > 30 64 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B797DF5D30, 16 bytes long.
 Data: < d&#223;&#151;&#183;           > 08 64 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B797DEFBC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002B797DF5AB0, 16 bytes long.
 Data: <&#224;c&#223;&#151;&#183;           > E0 63 DF 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002B797DF63E0, 992 bytes long.
 Data: <&#176;Z&#223;&#151;&#183;   &#192;&#251;&#222;&#151;&#183;   > B0 5A DF 97 B7 02 00 00 C0 FB DE 97 B7 02 00 00 
{92} normal block at 0x000002B797DEF6E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002B797DEEA20, 16 bytes long.
 Data: <&#160;&#210;&#221;&#151;&#183;           > A0 D2 DD 97 B7 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002B797DDD2A0, 40 bytes long.
 Data: < &#234;&#222;&#151;&#183;   &#224;&#246;&#222;&#151;&#183;   > 20 EA DE 97 B7 02 00 00 E0 F6 DE 97 B7 02 00 00 
{69} normal block at 0x000002B797DEEF20, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B797DEEED0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B797DEE7A0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B797DEF0B0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B797DEE980, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B797DEE570, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B797DEED90, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B797DEF290, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B797DEEB10, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B797DEEB60, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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