Task 38655579

Name test_136-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND5696_0
Workunit 31599332
Created 24 Oct 2026, 9:43:01 UTC
Sent 24 Oct 2026, 9:43:24 UTC
Report deadline 29 Oct 2026, 9:43:24 UTC
Received 24 Oct 2026, 10:46:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654878
Run time 50 min 11 sec
CPU time 47 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.44 MB
Peak swap size 18.59 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:57:06 (32720): wrapper (7.9.26016): starting
16:57:06 (32720): 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
16:57:09 (32720): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:57:09 (32720): 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\19\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\19\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
17:45:10 (32720): C:/Windows/system32/cmd.exe exited; CPU time 2878.843750
17:45:10 (32720): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 122183223 bytes.
Dumping objects ->
{3835349} normal block at 0x000001D5F62A0C30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835338} normal block at 0x000001D5F62A14F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835327} normal block at 0x000001D5F62A0ED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835316} normal block at 0x000001D5F62A0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835305} normal block at 0x000001D5F62A1090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835274} normal block at 0x000001D5F6544B50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835261} normal block at 0x000001D5F46C7A00, 8 bytes long.
 Data: <  f&#244;&#213;   > 00 00 66 F4 D5 01 00 00 
{3833969} normal block at 0x000001D5F46C7CD0, 8 bytes long.
 Data: < ,]&#246;&#213;   > 80 2C 5D F6 D5 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D5F46CE950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001D5F46B6620, 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 0x000001D5F46D4DC0, 16 bytes long.
 Data: <&#248;Qm&#244;&#213;           > F8 51 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D5F46D4D70, 16 bytes long.
 Data: <&#208;Qm&#244;&#213;           > D0 51 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D5F46CD5A0, 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 0x000001D5F46D4D20, 16 bytes long.
 Data: <&#168;Qm&#244;&#213;           > A8 51 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D5F46D4B90, 16 bytes long.
 Data: < Qm&#244;&#213;           > 80 51 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D5F46D4C80, 16 bytes long.
 Data: <XQm&#244;&#213;           > 58 51 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D5F46D4910, 16 bytes long.
 Data: <0Qm&#244;&#213;           > 30 51 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D5F46CC890, 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 0x000001D5F46D4870, 16 bytes long.
 Data: < &#175;k&#244;&#213;           > 18 AF 6B F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D5F46CD060, 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 0x000001D5F46D44B0, 16 bytes long.
 Data: <&#240;&#174;k&#244;&#213;           > F0 AE 6B F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D5F46D4B40, 16 bytes long.
 Data: <&#200;&#174;k&#244;&#213;           > C8 AE 6B F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D5F46D48C0, 16 bytes long.
 Data: <&#160;&#174;k&#244;&#213;           > A0 AE 6B F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D5F46D45F0, 16 bytes long.
 Data: <x&#174;k&#244;&#213;           > 78 AE 6B F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D5F46D41E0, 16 bytes long.
 Data: <P&#174;k&#244;&#213;           > 50 AE 6B F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D5F46D4500, 16 bytes long.
 Data: <(&#174;k&#244;&#213;           > 28 AE 6B F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D5F46CDD20, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{282} normal block at 0x000001D5F46D4410, 16 bytes long.
 Data: < &#174;k&#244;&#213;           > 00 AE 6B F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D5F46BAE00, 320 bytes long.
 Data: < Dm&#244;&#213;    &#221;l&#244;&#213;   > 10 44 6D F4 D5 01 00 00 20 DD 6C F4 D5 01 00 00 
{280} normal block at 0x000001D5F46D4820, 16 bytes long.
 Data: < Qm&#244;&#213;           > 10 51 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D5F46D4730, 16 bytes long.
 Data: <&#232;Pm&#244;&#213;           > E8 50 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D5F46CD480, 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 0x000001D5F46D43C0, 16 bytes long.
 Data: <&#192;Pm&#244;&#213;           > C0 50 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D5F46CD540, 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 0x000001D5F46D47D0, 16 bytes long.
 Data: < Pm&#244;&#213;           > 08 50 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D5F46D4AA0, 16 bytes long.
 Data: <&#224;Om&#244;&#213;           > E0 4F 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D5F46D4CD0, 16 bytes long.
 Data: <&#184;Om&#244;&#213;           > B8 4F 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D5F46D4C30, 16 bytes long.
 Data: < Om&#244;&#213;           > 90 4F 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D5F46D4960, 16 bytes long.
 Data: <hOm&#244;&#213;           > 68 4F 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D5F46D4320, 16 bytes long.
 Data: <@Om&#244;&#213;           > 40 4F 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D5F46D4460, 16 bytes long.
 Data: <&#208;&#198;l&#244;&#213;           > D0 C6 6C F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D5F46CC6D0, 40 bytes long.
 Data: <`Dm&#244;&#213;   PKT&#246;&#213;   > 60 44 6D F4 D5 01 00 00 50 4B 54 F6 D5 01 00 00 
{266} normal block at 0x000001D5F46D3F60, 16 bytes long.
 Data: < Om&#244;&#213;           > 20 4F 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D5F46D4A00, 16 bytes long.
 Data: <&#248;Nm&#244;&#213;           > F8 4E 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D5F46CDA80, 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 0x000001D5F46D4780, 16 bytes long.
 Data: <&#208;Nm&#244;&#213;           > D0 4E 6D F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D5F46D4ED0, 992 bytes long.
 Data: < Gm&#244;&#213;    &#218;l&#244;&#213;   > 80 47 6D F4 D5 01 00 00 80 DA 6C F4 D5 01 00 00 
{98} normal block at 0x000001D5F46CD900, 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 0x000001D5F46C8040, 16 bytes long.
 Data: <@&#199;l&#244;&#213;           > 40 C7 6C F4 D5 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001D5F46CC740, 40 bytes long.
 Data: <@ l&#244;&#213;    &#217;l&#244;&#213;   > 40 80 6C F4 D5 01 00 00 00 D9 6C F4 D5 01 00 00 
{75} normal block at 0x000001D5F46C7C80, 16 bytes long.
 Data: < &#234;Z&#223;&#247;           > 80 EA 5A DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D5F46C84A0, 16 bytes long.
 Data: <@&#233;Z&#223;&#247;           > 40 E9 5A DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D5F46C7B90, 16 bytes long.
 Data: <&#248;WW&#223;&#247;           > F8 57 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D5F46C8400, 16 bytes long.
 Data: <&#216;WW&#223;&#247;           > D8 57 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D5F46C79B0, 16 bytes long.
 Data: <P W&#223;&#247;           > 50 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D5F46C7F50, 16 bytes long.
 Data: <0 W&#223;&#247;           > 30 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D5F46C8770, 16 bytes long.
 Data: <&#224; W&#223;&#247;           > E0 02 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D5F46C8270, 16 bytes long.
 Data: <  W&#223;&#247;           > 10 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D5F46C7AF0, 16 bytes long.
 Data: <p W&#223;&#247;           > 70 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D5F46C7F00, 16 bytes long.
 Data: < &#192;U&#223;&#247;           > 18 C0 55 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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