Task 38685575

Name test_565-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4447_0
Workunit 31627038
Created 27 Oct 2026, 21:48:00 UTC
Sent 27 Oct 2026, 21:48:07 UTC
Report deadline 1 Nov 2026, 21:48:07 UTC
Received 27 Oct 2026, 23:34:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623084
Run time 1 hours 7 min 46 sec
CPU time 1 hours 4 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.88 MB
Peak swap size 12.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:16:58 (14640): wrapper (7.9.26016): starting
07:16:58 (14640): 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
07:16:59 (14640): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:16:59 (14640): 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\34\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\34\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
08:23:51 (14640): C:/Windows/system32/cmd.exe exited; CPU time 3855.328125
08:23:51 (14640): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 67519153 bytes.
Dumping objects ->
{3835600} normal block at 0x0000026EEA10A820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x0000026EEA109E10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835578} normal block at 0x0000026EEA109D30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835567} normal block at 0x0000026EEA10A7B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x0000026EEA10A510, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835525} normal block at 0x0000026EEC28A230, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000026EEC29F920, 104 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) : {3835511} normal block at 0x0000026EEA0DE1A0, 8 bytes long.
 Data: <  b n   > 00 00 62 EA 6E 02 00 00 
{3834797} normal block at 0x0000026EEC29EED0, 104 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834105} normal block at 0x0000026EEA0DEE20, 8 bytes long.
 Data: <    n   > 90 E5 1B EA 6E 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000026EEA0E2CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000026EEA0D6B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000026EEA0E6A30, 16 bytes long.
 Data: <xw  n           > 78 77 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000026EEA0E7200, 16 bytes long.
 Data: <Pw  n           > 50 77 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000026EEA0E02B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000026EEA0E7110, 16 bytes long.
 Data: <(w  n           > 28 77 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000026EEA0E68F0, 16 bytes long.
 Data: < w  n           > 00 77 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000026EEA0E7070, 16 bytes long.
 Data: <&#216;v  n           > D8 76 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000026EEA0E6CB0, 16 bytes long.
 Data: <&#176;v  n           > B0 76 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000026EEA0E1510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000026EEA0E70C0, 16 bytes long.
 Data: <8   n           > 38 01 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026EEA0E10F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000026EEA0E6F30, 16 bytes long.
 Data: <    n           > 10 01 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026EEA0E6850, 16 bytes long.
 Data: <    n           > E8 00 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026EEA0E68A0, 16 bytes long.
 Data: <&#192;   n           > C0 00 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026EEA0E73E0, 16 bytes long.
 Data: <    n           > 98 00 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026EEA0E6FD0, 16 bytes long.
 Data: <p   n           > 70 00 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026EEA0E6530, 16 bytes long.
 Data: <H   n           > 48 00 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026EEA0E0FD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000026EEA0E6D50, 16 bytes long.
 Data: <    n           > 20 00 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026EEA0E0020, 320 bytes long.
 Data: <Pm  n   &#208;   n   > 50 6D 0E EA 6E 02 00 00 D0 0F 0E EA 6E 02 00 00 
{288} normal block at 0x0000026EEA0E6490, 16 bytes long.
 Data: < v  n           > 90 76 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026EEA0E69E0, 16 bytes long.
 Data: <hv  n           > 68 76 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026EEA0E06D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000026EEA0E6710, 16 bytes long.
 Data: <@v  n           > 40 76 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026EEA0E0250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000026EEA0E6800, 16 bytes long.
 Data: < u  n           > 88 75 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026EEA0E66C0, 16 bytes long.
 Data: <`u  n           > 60 75 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026EEA0E72F0, 16 bytes long.
 Data: <8u  n           > 38 75 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026EEA0E6B20, 16 bytes long.
 Data: < u  n           > 10 75 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026EEA0E72A0, 16 bytes long.
 Data: < t  n           > E8 74 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026EEA0E7020, 16 bytes long.
 Data: <&#192;t  n           > C0 74 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026EEA0E67B0, 16 bytes long.
 Data: <`   n           > 60 16 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026EEA0E1660, 40 bytes long.
 Data: <&#176;g  n   0&#162;( n   > B0 67 0E EA 6E 02 00 00 30 A2 28 EC 6E 02 00 00 
{274} normal block at 0x0000026EEA0E7160, 16 bytes long.
 Data: < t  n           > A0 74 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026EEA0E6EE0, 16 bytes long.
 Data: <xt  n           > 78 74 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026EEA0E08B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000026EEA0E7250, 16 bytes long.
 Data: <Pt  n           > 50 74 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026EEA0E7450, 992 bytes long.
 Data: <Pr  n   &#176;   n   > 50 72 0E EA 6E 02 00 00 B0 08 0E EA 6E 02 00 00 
{106} normal block at 0x0000026EEA0E0310, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000026EEA0DE740, 16 bytes long.
 Data: <    n           > E0 12 0E EA 6E 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000026EEA0E12E0, 40 bytes long.
 Data: <@   n       n   > 40 E7 0D EA 6E 02 00 00 10 03 0E EA 6E 02 00 00 
{81} normal block at 0x0000026EEA0DE7E0, 16 bytes long.
 Data: <  -&#202;            > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000026EEA0DE970, 16 bytes long.
 Data: <@ -&#202;            > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000026EEA0DEA60, 16 bytes long.
 Data: < W*&#202;            > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000026EEA0DE510, 16 bytes long.
 Data: <&#216;W*&#202;            > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000026EEA0DE650, 16 bytes long.
 Data: <P *&#202;            > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000026EEA0DE0B0, 16 bytes long.
 Data: <0 *&#202;            > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000026EEA0DE4C0, 16 bytes long.
 Data: <  *&#202;            > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000026EEA0DE790, 16 bytes long.
 Data: <  *&#202;            > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026EEA0DE470, 16 bytes long.
 Data: <p *&#202;            > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026EEA0DE600, 16 bytes long.
 Data: < &#192;(&#202;            > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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