Task 38656831

Name test_802-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND0064_0
Workunit 31600533
Created 24 Oct 2026, 11:03:14 UTC
Sent 24 Oct 2026, 11:43:22 UTC
Report deadline 29 Oct 2026, 11:43:22 UTC
Received 24 Oct 2026, 12:19:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592498
Run time 34 min 52 sec
CPU time 26 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.11 MB
Peak swap size 8.28 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:45:04 (47864): wrapper (7.9.26016): starting
05:45:04 (47864): 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
05:45:05 (47864): Library/usr/bin/tar.exe exited; CPU time 0.046875
05:45:05 (47864): 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\11\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\11\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
06:18:26 (47864): C:/Windows/system32/cmd.exe exited; CPU time 1614.218750
06:18:26 (47864): 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: 44345723 bytes.
Dumping objects ->
{3835193} normal block at 0x000001456C9CE4A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001456C9CEB30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x000001456C9CE900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x000001456C9CE890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001456C9CEAC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x000001457018D110, 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) : {3835105} normal block at 0x000001456C9CBA20, 8 bytes long.
 Data: <  lnE   > 00 00 6C 6E 45 01 00 00 
{3833947} normal block at 0x000001456C9CB840, 8 bytes long.
 Data: <&#240;&#184;&#160;lE   > F0 B8 A0 6C 45 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001456C9BCDE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001456C9B57C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001456C9CC3D0, 16 bytes long.
 Data: <&#168;  lE           > A8 03 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001456C9CC290, 16 bytes long.
 Data: <   lE           > 80 03 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001456C9C0300, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001456C9CC0B0, 16 bytes long.
 Data: <X  lE           > 58 03 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001456C9CB610, 16 bytes long.
 Data: <0  lE           > 30 03 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001456C9CBF20, 16 bytes long.
 Data: <   lE           > 08 03 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001456C9CBED0, 16 bytes long.
 Data: <&#224;  lE           > E0 02 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001456C9CE970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001456C9CBD40, 16 bytes long.
 Data: <&#184;&#253;&#156;lE           > B8 FD 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001456C9BF820, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001456C9CBE30, 16 bytes long.
 Data: < &#253;&#156;lE           > 90 FD 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001456C9CB5C0, 16 bytes long.
 Data: <h&#253;&#156;lE           > 68 FD 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001456C9CC510, 16 bytes long.
 Data: <@&#253;&#156;lE           > 40 FD 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001456C9CBCF0, 16 bytes long.
 Data: < &#253;&#156;lE           > 18 FD 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001456C9CBCA0, 16 bytes long.
 Data: <&#240;&#252;&#156;lE           > F0 FC 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001456C9CC380, 16 bytes long.
 Data: <&#200;&#252;&#156;lE           > C8 FC 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001456C9C0060, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001456C9CBB10, 16 bytes long.
 Data: <&#160;&#252;&#156;lE           > A0 FC 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001456C9CFCA0, 320 bytes long.
 Data: < &#187;&#156;lE   ` &#156;lE   > 10 BB 9C 6C 45 01 00 00 60 00 9C 6C 45 01 00 00 
{269} normal block at 0x000001456C9CBC00, 16 bytes long.
 Data: <&#192;  lE           > C0 02 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001456C9CB700, 16 bytes long.
 Data: <   lE           > 98 02 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001456C9BF760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001456C9CBAC0, 16 bytes long.
 Data: <p  lE           > 70 02 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001456C9C02A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001456C9CC330, 16 bytes long.
 Data: <&#184;  lE           > B8 01 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001456C9CC2E0, 16 bytes long.
 Data: <   lE           > 90 01 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001456C9CC240, 16 bytes long.
 Data: <h  lE           > 68 01 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001456C9CC4C0, 16 bytes long.
 Data: <@  lE           > 40 01 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001456C9CC060, 16 bytes long.
 Data: <   lE           > 18 01 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001456C9CBA70, 16 bytes long.
 Data: <&#240;  lE           > F0 00 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001456C9CBC50, 16 bytes long.
 Data: <@&#231;&#156;lE           > 40 E7 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001456C9CE740, 40 bytes long.
 Data: <P&#188;&#156;lE    &#209; pE   > 50 BC 9C 6C 45 01 00 00 10 D1 18 70 45 01 00 00 
{255} normal block at 0x000001456C9CB9D0, 16 bytes long.
 Data: <&#208;  lE           > D0 00 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001456C9CC1A0, 16 bytes long.
 Data: <&#168;  lE           > A8 00 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001456C9C04E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001456C9CB980, 16 bytes long.
 Data: <   lE           > 80 00 9D 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001456C9D0080, 992 bytes long.
 Data: < &#185;&#156;lE   &#224; &#156;lE   > 80 B9 9C 6C 45 01 00 00 E0 04 9C 6C 45 01 00 00 
{87} normal block at 0x000001456C9BFE20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001456C9CB7A0, 16 bytes long.
 Data: <&#240;&#229;&#156;lE           > F0 E5 9C 6C 45 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001456C9CE5F0, 40 bytes long.
 Data: <&#160;&#183;&#156;lE    &#254;&#155;lE   > A0 B7 9C 6C 45 01 00 00 20 FE 9B 6C 45 01 00 00 
{64} normal block at 0x000001456C9CC1F0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 05 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001456C9CBB60, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 05 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001456C9CBD90, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001456C9C0D00, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001456C9C0BC0, 16 bytes long.
 Data: <P   &#246;           > 50 04 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001456C9C1A70, 16 bytes long.
 Data: <0   &#246;           > 30 04 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001456C9C17A0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001456C9C1AC0, 16 bytes long.
 Data: <    &#246;           > 10 04 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001456C9C1700, 16 bytes long.
 Data: <p   &#246;           > 70 04 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001456C9C1A20, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 00 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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