Task 38679953

Name test_478-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5382_0
Workunit 31621705
Created 26 Oct 2026, 22:18:02 UTC
Sent 26 Oct 2026, 22:18:07 UTC
Report deadline 31 Oct 2026, 22:18:07 UTC
Received 26 Oct 2026, 22:38:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 19 min 13 sec
CPU time 17 min 35 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 763.60 MB
Peak swap size 10.05 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:19:47 (3060): wrapper (7.9.26016): starting
07:19:47 (3060): 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
07:19:48 (3060): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:19:48 (3060): 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\25\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\25\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
07:38:16 (3060): C:/Windows/system32/cmd.exe exited; CPU time 1055.453125
07:38:16 (3060): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 21588485 bytes.
Dumping objects ->
{3835586} normal block at 0x000001E6E1DAC540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x000001E6E1DABC80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000001E6DFC84A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x000001E6DFC849C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x000001E6DFC84950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x000001E6E1DFA1B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x000001E6E1E0C7B0, 100 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) : {3835497} normal block at 0x000001E6DFC7EB40, 8 bytes long.
 Data: <  &#197;&#223;    > 00 00 C5 DF E6 01 00 00 
{3834771} normal block at 0x000001E6E1E0C2B0, 100 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 0x000001E6DFC7EB90, 8 bytes long.
 Data: < &#217;&#198;&#223;    > F0 D9 C6 DF E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E6DFC80DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E6DFC757D0, 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 0x000001E6DFC85B00, 16 bytes long.
 Data: <&#216;R&#200;&#223;            > D8 52 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E6DFC86000, 16 bytes long.
 Data: <&#176;R&#200;&#223;            > B0 52 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E6DFC7D350, 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 0x000001E6DFC854C0, 16 bytes long.
 Data: < R&#200;&#223;            > 88 52 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E6DFC861E0, 16 bytes long.
 Data: <`R&#200;&#223;            > 60 52 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E6DFC85970, 16 bytes long.
 Data: <8R&#200;&#223;            > 38 52 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E6DFC86280, 16 bytes long.
 Data: < R&#200;&#223;            > 10 52 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E6DFC846B0, 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 0x000001E6DFC858D0, 16 bytes long.
 Data: <X &#198;&#223;            > 58 E7 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E6DFC7CF90, 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 0x000001E6DFC85650, 16 bytes long.
 Data: <0 &#198;&#223;            > 30 E7 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E6DFC85830, 16 bytes long.
 Data: <  &#198;&#223;            > 08 E7 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6DFC86050, 16 bytes long.
 Data: <  &#198;&#223;            > E0 E6 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E6DFC86370, 16 bytes long.
 Data: <&#184; &#198;&#223;            > B8 E6 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6DFC855B0, 16 bytes long.
 Data: <  &#198;&#223;            > 90 E6 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6DFC860F0, 16 bytes long.
 Data: <h &#198;&#223;            > 68 E6 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E6DFC7D290, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{279} normal block at 0x000001E6DFC85A60, 16 bytes long.
 Data: <@ &#198;&#223;            > 40 E6 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E6DFC6E640, 320 bytes long.
 Data: <`Z&#200;&#223;     &#210;&#199;&#223;    > 60 5A C8 DF E6 01 00 00 90 D2 C7 DF E6 01 00 00 
{277} normal block at 0x000001E6DFC85880, 16 bytes long.
 Data: < Q&#200;&#223;            > F0 51 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E6DFC86140, 16 bytes long.
 Data: <&#200;Q&#200;&#223;            > C8 51 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E6DFC7CE10, 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 0x000001E6DFC85A10, 16 bytes long.
 Data: < Q&#200;&#223;            > A0 51 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E6DFC7CDB0, 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 0x000001E6DFC860A0, 16 bytes long.
 Data: < P&#200;&#223;            > E8 50 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E6DFC859C0, 16 bytes long.
 Data: <&#192;P&#200;&#223;            > C0 50 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6DFC857E0, 16 bytes long.
 Data: < P&#200;&#223;            > 98 50 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E6DFC86320, 16 bytes long.
 Data: <pP&#200;&#223;            > 70 50 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6DFC85AB0, 16 bytes long.
 Data: <HP&#200;&#223;            > 48 50 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E6DFC7F540, 16 bytes long.
 Data: < P&#200;&#223;            > 20 50 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E6DFC7F4A0, 16 bytes long.
 Data: <pH&#200;&#223;            > 70 48 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E6DFC84870, 40 bytes long.
 Data: <  &#199;&#223;    &#176;&#161;&#223;     > A0 F4 C7 DF E6 01 00 00 B0 A1 DF E1 E6 01 00 00 
{263} normal block at 0x000001E6DFC7F450, 16 bytes long.
 Data: < P&#200;&#223;            > 00 50 C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E6DFC7F2C0, 16 bytes long.
 Data: <&#216;O&#200;&#223;            > D8 4F C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E6DFC7CD50, 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 0x000001E6DFC7F3B0, 16 bytes long.
 Data: <&#176;O&#200;&#223;            > B0 4F C8 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E6DFC84FB0, 992 bytes long.
 Data: <&#176; &#199;&#223;    P&#205;&#199;&#223;    > B0 F3 C7 DF E6 01 00 00 50 CD C7 DF E6 01 00 00 
{95} normal block at 0x000001E6DFC7D4D0, 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 0x000001E6DFC7EEB0, 16 bytes long.
 Data: <P&#213;&#198;&#223;            > 50 D5 C6 DF E6 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E6DFC6D550, 40 bytes long.
 Data: <&#176; &#199;&#223;    &#208;&#212;&#199;&#223;    > B0 EE C7 DF E6 01 00 00 D0 D4 C7 DF E6 01 00 00 
{70} normal block at 0x000001E6DFC7F0E0, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E6DFC7E820, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E6DFC7EA00, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E6DFC7EAF0, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E6DFC7ED20, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E6DFC7EA50, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E6DFC7EDC0, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E6DFC7F4F0, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E6DFC7E8C0, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E6DFC7EAA0, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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