Task 38688678

Name test_606-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3887_0
Workunit 31630004
Created 28 Oct 2026, 15:31:28 UTC
Sent 28 Oct 2026, 15:31:36 UTC
Report deadline 2 Nov 2026, 15:31:36 UTC
Received 28 Oct 2026, 16:02:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 27 min 50 sec
CPU time 24 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.46 MB
Peak swap size 13.14 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:26:31 (23560): wrapper (7.9.26016): starting
00:26:31 (23560): 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
00:26:32 (23560): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:26:32 (23560): 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\28\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\28\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
00:52:41 (23560): C:/Windows/system32/cmd.exe exited; CPU time 1492.218750
00:52:41 (23560): 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: 27765151 bytes.
Dumping objects ->
{3835370} normal block at 0x000002A0C80FE6C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835359} normal block at 0x000002A0C80FE8F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835348} normal block at 0x000002A0C80FE880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835337} normal block at 0x000002A0C80FF060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835326} normal block at 0x000002A0C80FE730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835295} normal block at 0x000002A0CA26CBA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x000002A0CA283390, 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) : {3835281} normal block at 0x000002A0C80CD680, 8 bytes long.
 Data: <  J&#200;    > 00 00 4A C8 A0 02 00 00 
{3834663} normal block at 0x000002A0CA2830D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000002A0C80CCE60, 8 bytes long.
 Data: <   &#200;    > F0 08 10 C8 A0 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002A0C80DBB30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002A0C80BE3D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002A0C80D9650, 16 bytes long.
 Data: <&#168;  &#200;            > A8 9F 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A0C80D9600, 16 bytes long.
 Data: <   &#200;            > 80 9F 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A0C80D4860, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002A0C80D8B10, 16 bytes long.
 Data: <X  &#200;            > 58 9F 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A0C80D95B0, 16 bytes long.
 Data: <0  &#200;            > 30 9F 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A0C80D8F20, 16 bytes long.
 Data: <   &#200;            > 08 9F 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A0C80D99C0, 16 bytes long.
 Data: <   &#200;            > E0 9E 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A0C80D3420, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002A0C80D9330, 16 bytes long.
 Data: < A &#200;            > 08 41 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A0C80D4800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002A0C80D9010, 16 bytes long.
 Data: < @ &#200;            > E0 40 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A0C80D90B0, 16 bytes long.
 Data: <&#184;@ &#200;            > B8 40 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A0C80D9240, 16 bytes long.
 Data: < @ &#200;            > 90 40 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A0C80D91F0, 16 bytes long.
 Data: <h@ &#200;            > 68 40 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A0C80D8C50, 16 bytes long.
 Data: <@@ &#200;            > 40 40 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A0C80D9970, 16 bytes long.
 Data: < @ &#200;            > 18 40 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A0C80D4A40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002A0C80D91A0, 16 bytes long.
 Data: < ? &#200;            > F0 3F 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A0C80D3FF0, 320 bytes long.
 Data: <   &#200;    @J &#200;    > A0 91 0D C8 A0 02 00 00 40 4A 0D C8 A0 02 00 00 
{277} normal block at 0x000002A0C80D8E80, 16 bytes long.
 Data: <&#192;  &#200;            > C0 9E 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A0C80D8CF0, 16 bytes long.
 Data: <   &#200;            > 98 9E 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A0C80D47A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002A0C80D9A60, 16 bytes long.
 Data: <p  &#200;            > 70 9E 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A0C80D4200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002A0C80D9920, 16 bytes long.
 Data: <&#184;  &#200;            > B8 9D 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A0C80D9290, 16 bytes long.
 Data: <   &#200;            > 90 9D 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A0C80D98D0, 16 bytes long.
 Data: <h  &#200;            > 68 9D 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A0C80D9510, 16 bytes long.
 Data: <@  &#200;            > 40 9D 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A0C80D9470, 16 bytes long.
 Data: <   &#200;            > 18 9D 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A0C80D8E30, 16 bytes long.
 Data: <   &#200;            > F0 9C 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A0C80D9880, 16 bytes long.
 Data: <&#176;3 &#200;            > B0 33 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A0C80D33B0, 40 bytes long.
 Data: <   &#200;     &#203;&&#202;    > 80 98 0D C8 A0 02 00 00 A0 CB 26 CA A0 02 00 00 
{263} normal block at 0x000002A0C80D9100, 16 bytes long.
 Data: <&#208;  &#200;            > D0 9C 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A0C80D94C0, 16 bytes long.
 Data: <&#168;  &#200;            > A8 9C 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A0C80D4740, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002A0C80D8BB0, 16 bytes long.
 Data: <   &#200;            > 80 9C 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A0C80D9C80, 992 bytes long.
 Data: <&#176;  &#200;    @G &#200;    > B0 8B 0D C8 A0 02 00 00 40 47 0D C8 A0 02 00 00 
{95} normal block at 0x000002A0C80D4440, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002A0C80CD040, 16 bytes long.
 Data: < 1 &#200;            > F0 31 0D C8 A0 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002A0C80D31F0, 40 bytes long.
 Data: <@&#208; &#200;    @D &#200;    > 40 D0 0C C8 A0 02 00 00 40 44 0D C8 A0 02 00 00 
{70} normal block at 0x000002A0C80CD310, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A0C80CDAE0, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A0C80CCD20, 16 bytes long.
 Data: < W ;            > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A0C80CCBE0, 16 bytes long.
 Data: <&#216;W ;            > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A0C80CD950, 16 bytes long.
 Data: <P  ;            > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A0C80CD720, 16 bytes long.
 Data: <0  ;            > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A0C80CD770, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A0C80CD9A0, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A0C80CD540, 16 bytes long.
 Data: <p  ;            > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A0C80CD3B0, 16 bytes long.
 Data: < &#192; :            > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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