Task 38689116

Name test_80-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6853_0
Workunit 31630392
Created 28 Oct 2026, 18:28:58 UTC
Sent 28 Oct 2026, 18:29:04 UTC
Report deadline 2 Nov 2026, 18:29:04 UTC
Received 28 Oct 2026, 19:30:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 19 min 11 sec
CPU time 18 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.42 MB
Peak swap size 9.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:11:27 (55972): wrapper (7.9.26016): starting
14:11:27 (55972): 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
14:11:28 (55972): Library/usr/bin/tar.exe exited; CPU time 0.031250
14:11:28 (55972): 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
14:29:51 (55972): C:/Windows/system32/cmd.exe exited; CPU time 1090.156250
14:29:51 (55972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 28105081 bytes.
Dumping objects ->
{3835236} normal block at 0x0000020EE0C71090, 48 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 0x0000020EE0C70AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020EE0C70BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000020EE0C70E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000020EE0C707D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000020EE0D6C3D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000020EE0D80650, 102 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) : {3835147} normal block at 0x0000020EDF08EB00, 8 bytes long.
 Data: <   &#223;    > 00 00 01 DF 0E 02 00 00 
{3834547} normal block at 0x0000020EE0D805A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000020EDF08EAB0, 8 bytes long.
 Data: < &#191;&#215;&#224;    > 10 BF D7 E0 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020EDF0938D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020EDF0837E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000020EDF097540, 16 bytes long.
 Data: <x~	&#223;            > 78 7E 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020EDF0973B0, 16 bytes long.
 Data: <P~	&#223;            > 50 7E 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020EDF090790, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000020EDF097A40, 16 bytes long.
 Data: <(~	&#223;            > 28 7E 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020EDF096F00, 16 bytes long.
 Data: < ~	&#223;            > 00 7E 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020EDF0977C0, 16 bytes long.
 Data: <&#216;}	&#223;            > D8 7D 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020EDF0979F0, 16 bytes long.
 Data: <&#176;}	&#223;            > B0 7D 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020EDF091650, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020EDF097630, 16 bytes long.
 Data: <&#232;&#237; &#223;            > E8 ED 07 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020EDF0911B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020EDF096EB0, 16 bytes long.
 Data: <&#192;&#237; &#223;            > C0 ED 07 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020EDF0979A0, 16 bytes long.
 Data: < &#237; &#223;            > 98 ED 07 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020EDF096D20, 16 bytes long.
 Data: <p&#237; &#223;            > 70 ED 07 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020EDF096E60, 16 bytes long.
 Data: <H&#237; &#223;            > 48 ED 07 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020EDF097770, 16 bytes long.
 Data: < &#237; &#223;            > 20 ED 07 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020EDF096CD0, 16 bytes long.
 Data: <&#248;&#236; &#223;            > F8 EC 07 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020EDF090670, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020EDF096BE0, 16 bytes long.
 Data: <&#208;&#236; &#223;            > D0 EC 07 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020EDF07ECD0, 320 bytes long.
 Data: <&#224;k	&#223;    p 	&#223;    > E0 6B 09 DF 0E 02 00 00 70 06 09 DF 0E 02 00 00 
{280} normal block at 0x0000020EDF097680, 16 bytes long.
 Data: < }	&#223;            > 90 7D 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020EDF097220, 16 bytes long.
 Data: <h}	&#223;            > 68 7D 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020EDF090F70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000020EDF096C80, 16 bytes long.
 Data: <@}	&#223;            > 40 7D 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020EDF090D90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000020EDF096FA0, 16 bytes long.
 Data: < |	&#223;            > 88 7C 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020EDF0972C0, 16 bytes long.
 Data: <`|	&#223;            > 60 7C 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020EDF097090, 16 bytes long.
 Data: <8|	&#223;            > 38 7C 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020EDF096E10, 16 bytes long.
 Data: < |	&#223;            > 10 7C 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020EDF096DC0, 16 bytes long.
 Data: <&#232;{	&#223;            > E8 7B 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020EDF096F50, 16 bytes long.
 Data: <&#192;{	&#223;            > C0 7B 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020EDF096B90, 16 bytes long.
 Data: <p 	&#223;            > 70 15 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020EDF091570, 40 bytes long.
 Data: < k	&#223;    &#208;&#195;&#214;&#224;    > 90 6B 09 DF 0E 02 00 00 D0 C3 D6 E0 0E 02 00 00 
{266} normal block at 0x0000020EDF097450, 16 bytes long.
 Data: <&#160;{	&#223;            > A0 7B 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020EDF097950, 16 bytes long.
 Data: <x{	&#223;            > 78 7B 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020EDF0904F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020EDF096C30, 16 bytes long.
 Data: <P{	&#223;            > 50 7B 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020EDF097B50, 992 bytes long.
 Data: <0l	&#223;    &#240; 	&#223;    > 30 6C 09 DF 0E 02 00 00 F0 04 09 DF 0E 02 00 00 
{98} normal block at 0x0000020EDF090A90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000020EDF08F230, 16 bytes long.
 Data: <  	&#223;            > 90 1B 09 DF 0E 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020EDF091B90, 40 bytes long.
 Data: <0&#242; &#223;      	&#223;    > 30 F2 08 DF 0E 02 00 00 90 0A 09 DF 0E 02 00 00 
{75} normal block at 0x0000020EDF08F000, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020EDF08EA60, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020EDF08E650, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020EDF08F190, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020EDF08F370, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020EDF08E5B0, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020EDF08F410, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020EDF08EE20, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020EDF08EA10, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020EDF08F0F0, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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