Task 38678549

Name test_874-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1327_0
Workunit 31620364
Created 26 Oct 2026, 17:46:31 UTC
Sent 26 Oct 2026, 17:46:33 UTC
Report deadline 31 Oct 2026, 17:46:33 UTC
Received 26 Oct 2026, 18:30:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604231
Run time 23 min 25 sec
CPU time 22 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.27 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:03:36 (23584): wrapper (7.9.26016): starting
13:03:36 (23584): 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
13:03:37 (23584): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:03:37 (23584): 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 'M:\BOINC\slots\17\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 'M:\BOINC\slots\17\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
13:28:29 (23584): C:/Windows/system32/cmd.exe exited; CPU time 1347.937500
13:28:29 (23584): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 27833643 bytes.
Dumping objects ->
{3835626} normal block at 0x0000022B466C4C80, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835615} normal block at 0x0000022B484AFA20, 32 bytes long.
 Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835604} normal block at 0x0000022B484AF960, 32 bytes long.
 Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835593} normal block at 0x0000022B484B06E0, 32 bytes long.
 Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835582} normal block at 0x0000022B484B0920, 32 bytes long.
 Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C 
{3835551} normal block at 0x0000022B466C4C10, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835540} normal block at 0x0000022B466BB010, 200 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) : {3835537} normal block at 0x0000022B466BD3B0, 8 bytes long.
 Data: <  &#182;F+   > 00 00 B6 46 2B 02 00 00 
{3834737} normal block at 0x0000022B466BA8A0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000022B466BDC20, 8 bytes long.
 Data: <&#176;&#227;7H+   > B0 E3 37 48 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022B466C1130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022B466B5AE0, 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 0x0000022B466C5B90, 16 bytes long.
 Data: <&#216;hlF+           > D8 68 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022B466C64A0, 16 bytes long.
 Data: <&#176;hlF+           > B0 68 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022B466BF960, 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 0x0000022B466C5820, 16 bytes long.
 Data: < hlF+           > 88 68 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022B466C5E10, 16 bytes long.
 Data: <`hlF+           > 60 68 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022B466C5DC0, 16 bytes long.
 Data: <8hlF+           > 38 68 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022B466C60E0, 16 bytes long.
 Data: < hlF+           > 10 68 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022B466C49E0, 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 0x0000022B466C5960, 16 bytes long.
 Data: <(&#245;jF+           > 28 F5 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022B466BF600, 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 0x0000022B466C6310, 16 bytes long.
 Data: < &#245;jF+           > 00 F5 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022B466C5B40, 16 bytes long.
 Data: <&#216;&#244;jF+           > D8 F4 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022B466C57D0, 16 bytes long.
 Data: <&#176;&#244;jF+           > B0 F4 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B466C5AA0, 16 bytes long.
 Data: < &#244;jF+           > 88 F4 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022B466C5BE0, 16 bytes long.
 Data: <`&#244;jF+           > 60 F4 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022B466C6090, 16 bytes long.
 Data: <8&#244;jF+           > 38 F4 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022B466BF9C0, 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 0x0000022B466C5FF0, 16 bytes long.
 Data: < &#244;jF+           > 10 F4 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022B466AF410, 320 bytes long.
 Data: <&#240;_lF+   &#192;&#249;kF+   > F0 5F 6C 46 2B 02 00 00 C0 F9 6B 46 2B 02 00 00 
{277} normal block at 0x0000022B466C5D20, 16 bytes long.
 Data: <&#240;glF+           > F0 67 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022B466C5F50, 16 bytes long.
 Data: <&#200;glF+           > C8 67 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022B466BF900, 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 0x0000022B466C55F0, 16 bytes long.
 Data: <&#160;glF+           > A0 67 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022B466BF060, 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 0x0000022B466C5CD0, 16 bytes long.
 Data: <&#232;flF+           > E8 66 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022B466C64F0, 16 bytes long.
 Data: <&#192;flF+           > C0 66 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B466C5870, 16 bytes long.
 Data: < flF+           > 98 66 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022B466C5690, 16 bytes long.
 Data: <pflF+           > 70 66 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B466C6540, 16 bytes long.
 Data: <HflF+           > 48 66 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B466C5C30, 16 bytes long.
 Data: < flF+           > 20 66 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B466C5EB0, 16 bytes long.
 Data: < PlF+           > 00 50 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022B466C5000, 40 bytes long.
 Data: <&#176;^lF+    LlF+   > B0 5E 6C 46 2B 02 00 00 10 4C 6C 46 2B 02 00 00 
{263} normal block at 0x0000022B466C6270, 16 bytes long.
 Data: < flF+           > 00 66 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B466C5780, 16 bytes long.
 Data: <&#216;elF+           > D8 65 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022B466BF8A0, 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 0x0000022B466C5E60, 16 bytes long.
 Data: <&#176;elF+           > B0 65 6C 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022B466C65B0, 992 bytes long.
 Data: <`^lF+   &#160;&#248;kF+   > 60 5E 6C 46 2B 02 00 00 A0 F8 6B 46 2B 02 00 00 
{95} normal block at 0x0000022B466BF840, 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 0x0000022B466BD860, 16 bytes long.
 Data: <&#192;&#231;jF+           > C0 E7 6A 46 2B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022B466AE7C0, 40 bytes long.
 Data: <`&#216;kF+   @&#248;kF+   > 60 D8 6B 46 2B 02 00 00 40 F8 6B 46 2B 02 00 00 
{72} normal block at 0x0000022B466BDBD0, 16 bytes long.
 Data: < &#234;&#215;Z&#247;           > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022B466BDA90, 16 bytes long.
 Data: <@&#233;&#215;Z&#247;           > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022B466BD950, 16 bytes long.
 Data: <&#248;W&#212;Z&#247;           > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022B466BDAE0, 16 bytes long.
 Data: <&#216;W&#212;Z&#247;           > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022B466BD810, 16 bytes long.
 Data: <P &#212;Z&#247;           > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022B466BE2B0, 16 bytes long.
 Data: <0 &#212;Z&#247;           > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022B466BDC70, 16 bytes long.
 Data: <&#224; &#212;Z&#247;           > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022B466BE260, 16 bytes long.
 Data: <  &#212;Z&#247;           > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022B466BD6D0, 16 bytes long.
 Data: <p &#212;Z&#247;           > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022B466BD900, 16 bytes long.
 Data: < &#192;&#210;Z&#247;           > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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