Task 38670007

Name test_925-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9753_0
Workunit 31612294
Created 25 Oct 2026, 16:11:44 UTC
Sent 25 Oct 2026, 16:11:48 UTC
Report deadline 30 Oct 2026, 16:11:48 UTC
Received 25 Oct 2026, 16:48:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607849
Run time 25 min 16 sec
CPU time 22 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.34 MB
Peak swap size 6.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:23:48 (6252): wrapper (7.9.26016): starting
17:23:48 (6252): 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
17:23:49 (6252): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:23:49 (6252): 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
17:48:08 (6252): C:/Windows/system32/cmd.exe exited; CPU time 1344.328125
17:48:08 (6252): 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: 22844279 bytes.
Dumping objects ->
{3835270} normal block at 0x0000026B63F2A0F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000026B63F2A010, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000026B63F2A550, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000026B63F2A400, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000026B63F2A9B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000026B65B662D0, 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) : {3835182} normal block at 0x0000026B63EFE5B0, 8 bytes long.
 Data: <  1dk   > 00 00 31 64 6B 02 00 00 
{3833969} normal block at 0x0000026B63EFE470, 8 bytes long.
 Data: < &#226;&#238;ck   > 90 E2 EE 63 6B 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000026B63EFF2A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000026B63EF74D0, 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 0x0000026B63F07840, 16 bytes long.
 Data: <h}&#240;ck           > 68 7D F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026B63F07700, 16 bytes long.
 Data: <@}&#240;ck           > 40 7D F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026B63F01AB0, 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 0x0000026B63F06E40, 16 bytes long.
 Data: < }&#240;ck           > 18 7D F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026B63F06F30, 16 bytes long.
 Data: <&#240;|&#240;ck           > F0 7C F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026B63F07660, 16 bytes long.
 Data: <&#200;|&#240;ck           > C8 7C F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026B63F07160, 16 bytes long.
 Data: <&#160;|&#240;ck           > A0 7C F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026B63F05290, 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 0x0000026B63F074D0, 16 bytes long.
 Data: <&#248;&#159;&#239;ck           > F8 9F EF 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026B63F01C90, 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 0x0000026B63F06DF0, 16 bytes long.
 Data: <&#208;&#159;&#239;ck           > D0 9F EF 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026B63F06D00, 16 bytes long.
 Data: <&#168;&#159;&#239;ck           > A8 9F EF 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026B63F073E0, 16 bytes long.
 Data: < &#159;&#239;ck           > 80 9F EF 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026B63F07610, 16 bytes long.
 Data: <X&#159;&#239;ck           > 58 9F EF 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026B63F06B70, 16 bytes long.
 Data: <0&#159;&#239;ck           > 30 9F EF 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026B63F07430, 16 bytes long.
 Data: < &#159;&#239;ck           > 08 9F EF 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026B63F01990, 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 0x0000026B63F07250, 16 bytes long.
 Data: <&#224;&#158;&#239;ck           > E0 9E EF 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026B63EF9EE0, 320 bytes long.
 Data: <Pr&#240;ck     &#240;ck   > 50 72 F0 63 6B 02 00 00 90 19 F0 63 6B 02 00 00 
{280} normal block at 0x0000026B63F07340, 16 bytes long.
 Data: < |&#240;ck           > 80 7C F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026B63F072F0, 16 bytes long.
 Data: <X|&#240;ck           > 58 7C F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026B63F01810, 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 0x0000026B63F06AD0, 16 bytes long.
 Data: <0|&#240;ck           > 30 7C F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026B63F018D0, 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 0x0000026B63F06D50, 16 bytes long.
 Data: <x{&#240;ck           > 78 7B F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026B63F06DA0, 16 bytes long.
 Data: <P{&#240;ck           > 50 7B F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026B63F07890, 16 bytes long.
 Data: <({&#240;ck           > 28 7B F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026B63F07480, 16 bytes long.
 Data: < {&#240;ck           > 00 7B F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026B63F076B0, 16 bytes long.
 Data: <&#216;z&#240;ck           > D8 7A F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026B63F07390, 16 bytes long.
 Data: <&#176;z&#240;ck           > B0 7A F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026B63F06CB0, 16 bytes long.
 Data: <`P&#240;ck           > 60 50 F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026B63F05060, 40 bytes long.
 Data: <&#176;l&#240;ck   &#208;b&#182;ek   > B0 6C F0 63 6B 02 00 00 D0 62 B6 65 6B 02 00 00 
{266} normal block at 0x0000026B63F070C0, 16 bytes long.
 Data: < z&#240;ck           > 90 7A F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026B63F07200, 16 bytes long.
 Data: <hz&#240;ck           > 68 7A F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026B63F01BD0, 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 0x0000026B63F075C0, 16 bytes long.
 Data: <@z&#240;ck           > 40 7A F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026B63F07A40, 992 bytes long.
 Data: <&#192;u&#240;ck   &#208; &#240;ck   > C0 75 F0 63 6B 02 00 00 D0 1B F0 63 6B 02 00 00 
{98} normal block at 0x0000026B63F017B0, 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 0x0000026B63EFE380, 16 bytes long.
 Data: <&#176;Q&#240;ck           > B0 51 F0 63 6B 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000026B63F051B0, 40 bytes long.
 Data: < &#227;&#239;ck   &#176; &#240;ck   > 80 E3 EF 63 6B 02 00 00 B0 17 F0 63 6B 02 00 00 
{75} normal block at 0x0000026B63EFEF60, 16 bytes long.
 Data: < &#234;&#218;8&#246;           > 80 EA DA 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000026B63EFEFB0, 16 bytes long.
 Data: <@&#233;&#218;8&#246;           > 40 E9 DA 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026B63EFEF10, 16 bytes long.
 Data: <&#248;W&#215;8&#246;           > F8 57 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026B63EFE880, 16 bytes long.
 Data: <&#216;W&#215;8&#246;           > D8 57 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026B63EFE7E0, 16 bytes long.
 Data: <P &#215;8&#246;           > 50 04 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026B63EFE790, 16 bytes long.
 Data: <0 &#215;8&#246;           > 30 04 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026B63EFE330, 16 bytes long.
 Data: <&#224; &#215;8&#246;           > E0 02 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026B63EFED80, 16 bytes long.
 Data: <  &#215;8&#246;           > 10 04 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026B63EFE8D0, 16 bytes long.
 Data: <p &#215;8&#246;           > 70 04 D7 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026B63EFEC90, 16 bytes long.
 Data: < &#192;&#213;8&#246;           > 18 C0 D5 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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