Task 38672273

Name test_848-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND2410_1
Workunit 31614381
Created 25 Oct 2026, 22:56:48 UTC
Sent 25 Oct 2026, 22:56:51 UTC
Report deadline 30 Oct 2026, 22:56:51 UTC
Received 25 Oct 2026, 23:36:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 19 min 2 sec
CPU time 17 min 1 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 763.49 MB
Peak swap size 13.18 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:05:23 (44540): wrapper (7.9.26016): starting
18:05:23 (44540): 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
18:05:24 (44540): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:05:24 (44540): 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\10\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\10\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
18:23:30 (44540): C:/Windows/system32/cmd.exe exited; CPU time 1021.843750
18:23:30 (44540): 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: 24023787 bytes.
Dumping objects ->
{3835497} normal block at 0x000001F8FD7B5090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x000001F8FD7B5020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001F8FD7B5170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835464} normal block at 0x000001F8FD7B5100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835453} normal block at 0x000001F8FD7B4FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835422} normal block at 0x000001F8FF5F5940, 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) : {3835409} normal block at 0x000001F8FD7B0410, 8 bytes long.
 Data: <  &#207;&#253;&#248;   > 00 00 CF FD F8 01 00 00 
{3833969} normal block at 0x000001F8FD7AFE20, 8 bytes long.
 Data: < &#201;}&#253;&#248;   > 90 C9 7D FD F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F8FD7B2140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001F8FD79EF80, 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 0x000001F8FD7B6880, 16 bytes long.
 Data: < n{&#253;&#248;           > 98 6E 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F8FD7B6740, 16 bytes long.
 Data: <pn{&#253;&#248;           > 70 6E 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F8FD7AD8A0, 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 0x000001F8FD7B6240, 16 bytes long.
 Data: <Hn{&#253;&#248;           > 48 6E 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F8FD7B6100, 16 bytes long.
 Data: < n{&#253;&#248;           > 20 6E 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F8FD7B6010, 16 bytes long.
 Data: <&#248;m{&#253;&#248;           > F8 6D 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F8FD7B6B00, 16 bytes long.
 Data: <&#208;m{&#253;&#248;           > D0 6D 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F8FD7B53A0, 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 0x000001F8FD7B6AB0, 16 bytes long.
 Data: <  z&#253;&#248;           > 98 04 7A FD F8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F8FD7ADBA0, 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 0x000001F8FD7B5FC0, 16 bytes long.
 Data: <p z&#253;&#248;           > 70 04 7A FD F8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F8FD7B61F0, 16 bytes long.
 Data: <H z&#253;&#248;           > 48 04 7A FD F8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F8FD7B6420, 16 bytes long.
 Data: <  z&#253;&#248;           > 20 04 7A FD F8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F8FD7B6830, 16 bytes long.
 Data: <&#248; z&#253;&#248;           > F8 03 7A FD F8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F8FD7B66F0, 16 bytes long.
 Data: <&#208; z&#253;&#248;           > D0 03 7A FD F8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F8FD7B6A60, 16 bytes long.
 Data: <&#168; z&#253;&#248;           > A8 03 7A FD F8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F8FD7AE140, 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 0x000001F8FD7B67E0, 16 bytes long.
 Data: <  z&#253;&#248;           > 80 03 7A FD F8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F8FD7A0380, 320 bytes long.
 Data: <&#224;g{&#253;&#248;   @&#225;z&#253;&#248;   > E0 67 7B FD F8 01 00 00 40 E1 7A FD F8 01 00 00 
{280} normal block at 0x000001F8FD7B66A0, 16 bytes long.
 Data: <&#176;m{&#253;&#248;           > B0 6D 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F8FD7B6560, 16 bytes long.
 Data: < m{&#253;&#248;           > 88 6D 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F8FD7ADD80, 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 0x000001F8FD7B6920, 16 bytes long.
 Data: <`m{&#253;&#248;           > 60 6D 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F8FD7AE5C0, 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 0x000001F8FD7B6A10, 16 bytes long.
 Data: <&#168;l{&#253;&#248;           > A8 6C 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F8FD7B6150, 16 bytes long.
 Data: < l{&#253;&#248;           > 80 6C 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F8FD7B6060, 16 bytes long.
 Data: <Xl{&#253;&#248;           > 58 6C 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F8FD7B5E30, 16 bytes long.
 Data: <0l{&#253;&#248;           > 30 6C 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F8FD7B5F20, 16 bytes long.
 Data: < l{&#253;&#248;           > 08 6C 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F8FD7B5C00, 16 bytes long.
 Data: <&#224;k{&#253;&#248;           > E0 6B 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F8FD7B60B0, 16 bytes long.
 Data: <&#224;Q{&#253;&#248;           > E0 51 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F8FD7B51E0, 40 bytes long.
 Data: <&#176;`{&#253;&#248;   @Y_&#255;&#248;   > B0 60 7B FD F8 01 00 00 40 59 5F FF F8 01 00 00 
{266} normal block at 0x000001F8FD7B5ED0, 16 bytes long.
 Data: <&#192;k{&#253;&#248;           > C0 6B 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F8FD7B5E80, 16 bytes long.
 Data: < k{&#253;&#248;           > 98 6B 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F8FD7AE1A0, 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 0x000001F8FD7B6790, 16 bytes long.
 Data: <pk{&#253;&#248;           > 70 6B 7B FD F8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F8FD7B6B70, 992 bytes long.
 Data: < g{&#253;&#248;   &#160;&#225;z&#253;&#248;   > 90 67 7B FD F8 01 00 00 A0 E1 7A FD F8 01 00 00 
{98} normal block at 0x000001F8FD7ADB40, 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 0x000001F8FD7B0280, 16 bytes long.
 Data: < &#230;y&#253;&#248;           > 90 E6 79 FD F8 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001F8FD79E690, 40 bytes long.
 Data: <  {&#253;&#248;   @&#219;z&#253;&#248;   > 80 02 7B FD F8 01 00 00 40 DB 7A FD F8 01 00 00 
{75} normal block at 0x000001F8FD7B0190, 16 bytes long.
 Data: < &#234;&#247;&#208;&#246;           > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001F8FD7B0050, 16 bytes long.
 Data: <@&#233;&#247;&#208;&#246;           > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F8FD7B05A0, 16 bytes long.
 Data: <&#248;W&#244;&#208;&#246;           > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F8FD7AFBF0, 16 bytes long.
 Data: <&#216;W&#244;&#208;&#246;           > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F8FD7AFD80, 16 bytes long.
 Data: <P &#244;&#208;&#246;           > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F8FD7B0550, 16 bytes long.
 Data: <0 &#244;&#208;&#246;           > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F8FD7AFFB0, 16 bytes long.
 Data: <&#224; &#244;&#208;&#246;           > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F8FD7B05F0, 16 bytes long.
 Data: <  &#244;&#208;&#246;           > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F8FD7B0500, 16 bytes long.
 Data: <p &#244;&#208;&#246;           > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F8FD7B0460, 16 bytes long.
 Data: < &#192;&#242;&#208;&#246;           > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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