Task 38681032

Name test_3-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3824_0
Workunit 31622721
Created 27 Oct 2026, 2:19:32 UTC
Sent 27 Oct 2026, 2:19:35 UTC
Report deadline 1 Nov 2026, 2:19:35 UTC
Received 27 Oct 2026, 4:01:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 44 min 22 sec
CPU time 41 min 4 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 741.73 MB
Peak swap size 13.16 GB
Peak disk usage 3.75 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:09:32 (3796): wrapper (7.9.26016): starting
12:09:32 (3796): 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
12:09:34 (3796): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:09:34 (3796): 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\28\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\28\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
12:52:10 (3796): C:/Windows/system32/cmd.exe exited; CPU time 2464.953125
12:52:10 (3796): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 44513467 bytes.
Dumping objects ->
{3835368} normal block at 0x000002370FE8F170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835357} normal block at 0x000002370FE8ED10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835346} normal block at 0x000002370FE8F2C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835335} normal block at 0x000002370FE8F330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835324} normal block at 0x000002370FE8F6B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835293} normal block at 0x0000023711E5D4A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835282} normal block at 0x0000023711E735F0, 102 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) : {3835279} normal block at 0x000002370FE5D870, 8 bytes long.
 Data: <    7   > 00 00 E2 0F 37 02 00 00 
{3834663} normal block at 0x0000023711E74040, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000002370FE5DD70, 8 bytes long.
 Data: <  G 7   > F0 EA 47 10 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002370FE6C120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002370FE520F0, 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 0x000002370FE69490, 16 bytes long.
 Data: <&#216;&#166;  7           > D8 A6 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002370FE69FD0, 16 bytes long.
 Data: <&#176;&#166;  7           > B0 A6 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002370FE65B50, 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 0x000002370FE6A110, 16 bytes long.
 Data: < &#166;  7           > 88 A6 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002370FE69F30, 16 bytes long.
 Data: <`&#166;  7           > 60 A6 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002370FE69D00, 16 bytes long.
 Data: <8&#166;  7           > 38 A6 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002370FE69CB0, 16 bytes long.
 Data: < &#166;  7           > 10 A6 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002370FE63E60, 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 0x000002370FE69C60, 16 bytes long.
 Data: <&#184;   7           > B8 EE E5 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002370FE65730, 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 0x000002370FE69AD0, 16 bytes long.
 Data: <    7           > 90 EE E5 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002370FE6A340, 16 bytes long.
 Data: <h   7           > 68 EE E5 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002370FE69B70, 16 bytes long.
 Data: <@   7           > 40 EE E5 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002370FE69D50, 16 bytes long.
 Data: <    7           > 18 EE E5 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002370FE69670, 16 bytes long.
 Data: <    7           > F0 ED E5 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002370FE69EE0, 16 bytes long.
 Data: <&#200;   7           > C8 ED E5 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002370FE65550, 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 0x000002370FE6A2F0, 16 bytes long.
 Data: <    7           > A0 ED E5 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002370FE5EDA0, 320 bytes long.
 Data: < &#162;  7   PU  7   > F0 A2 E6 0F 37 02 00 00 50 55 E6 0F 37 02 00 00 
{277} normal block at 0x000002370FE6A020, 16 bytes long.
 Data: < &#165;  7           > F0 A5 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002370FE69A80, 16 bytes long.
 Data: <&#200;&#165;  7           > C8 A5 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002370FE65130, 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 0x000002370FE69990, 16 bytes long.
 Data: < &#165;  7           > A0 A5 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002370FE65010, 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 0x000002370FE6A2A0, 16 bytes long.
 Data: < &#164;  7           > E8 A4 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002370FE698A0, 16 bytes long.
 Data: <&#192;&#164;  7           > C0 A4 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002370FE69940, 16 bytes long.
 Data: < &#164;  7           > 98 A4 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002370FE698F0, 16 bytes long.
 Data: <p&#164;  7           > 70 A4 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002370FE69F80, 16 bytes long.
 Data: <H&#164;  7           > 48 A4 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002370FE699E0, 16 bytes long.
 Data: < &#164;  7           > 20 A4 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002370FE697B0, 16 bytes long.
 Data: <pA  7           > 70 41 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002370FE64170, 40 bytes long.
 Data: <&#176;   7    &#212;  7   > B0 97 E6 0F 37 02 00 00 A0 D4 E5 11 37 02 00 00 
{263} normal block at 0x000002370FE69800, 16 bytes long.
 Data: < &#164;  7           > 00 A4 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002370FE69E90, 16 bytes long.
 Data: <&#216;&#163;  7           > D8 A3 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002370FE65A30, 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 0x000002370FE6A070, 16 bytes long.
 Data: <&#176;&#163;  7           > B0 A3 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002370FE6A3B0, 992 bytes long.
 Data: <p   7   0Z  7   > 70 A0 E6 0F 37 02 00 00 30 5A E6 0F 37 02 00 00 
{95} normal block at 0x000002370FE659D0, 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 0x000002370FE5D690, 16 bytes long.
 Data: <&#192;B  7           > C0 42 E6 0F 37 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002370FE642C0, 40 bytes long.
 Data: < &#214;  7   &#208;Y  7   > 90 D6 E5 0F 37 02 00 00 D0 59 E6 0F 37 02 00 00 
{70} normal block at 0x000002370FE5D9B0, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002370FE5D640, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002370FE5D960, 16 bytes long.
 Data: < W ;            > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002370FE5E090, 16 bytes long.
 Data: <&#216;W ;            > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002370FE5E040, 16 bytes long.
 Data: <P  ;            > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002370FE5D320, 16 bytes long.
 Data: <0  ;            > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002370FE5D8C0, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002370FE5DEB0, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002370FE5D5F0, 16 bytes long.
 Data: <p  ;            > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002370FE5DFF0, 16 bytes long.
 Data: < &#192; :            > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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