Task 38677453

Name test_705-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2737_0
Workunit 31619324
Created 26 Oct 2026, 14:23:24 UTC
Sent 26 Oct 2026, 14:23:27 UTC
Report deadline 31 Oct 2026, 14:23:27 UTC
Received 26 Oct 2026, 14:45:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 21 min 47 sec
CPU time 18 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.42 MB
Peak swap size 13.26 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:24:54 (6320): wrapper (7.9.26016): starting
14:24:54 (6320): 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
14:24:55 (6320): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:24:55 (6320): 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 'D:\Boinc\data\slots\9\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 'D:\Boinc\data\slots\9\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
14:45:31 (6320): C:/Windows/system32/cmd.exe exited; CPU time 1139.468750
14:45:31 (6320): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 30880922 bytes.
Dumping objects ->
{3835279} normal block at 0x000002B981884E70, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x000002B9837419A0, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x000002B983741340, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x000002B983741FA0, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x000002B9837415E0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x000002B981884D20, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x000002B98370D520, 85 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) : {3835190} normal block at 0x000002B98187F0A0, 8 bytes long.
 Data: <  &#241; &#185;   > 00 00 F1 81 B9 02 00 00 
{3834567} normal block at 0x000002B98370C620, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002B98187F6E0, 8 bytes long.
 Data: <&#160;>u&#131;&#185;   > A0 3E 75 83 B9 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002B981881390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B981876B90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002B981885CE0, 16 bytes long.
 Data: <hf  &#185;           > 68 66 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B981885970, 16 bytes long.
 Data: <@f  &#185;           > 40 66 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B9818803E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002B981885EC0, 16 bytes long.
 Data: < f  &#185;           > 18 66 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B981885790, 16 bytes long.
 Data: <&#240;e  &#185;           > F0 65 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B981885920, 16 bytes long.
 Data: <&#200;e  &#185;           > C8 65 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B981885F60, 16 bytes long.
 Data: <&#160;e  &#185;           > A0 65 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B981884AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002B9818858D0, 16 bytes long.
 Data: <H&#231;&#135; &#185;           > 48 E7 87 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B98187FFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002B9818860A0, 16 bytes long.
 Data: < &#231;&#135; &#185;           > 20 E7 87 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B981885880, 16 bytes long.
 Data: <&#248;&#230;&#135; &#185;           > F8 E6 87 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B981885380, 16 bytes long.
 Data: <&#208;&#230;&#135; &#185;           > D0 E6 87 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B9818856A0, 16 bytes long.
 Data: <&#168;&#230;&#135; &#185;           > A8 E6 87 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B981885BF0, 16 bytes long.
 Data: < &#230;&#135; &#185;           > 80 E6 87 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B9818855B0, 16 bytes long.
 Data: <X&#230;&#135; &#185;           > 58 E6 87 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B981880260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002B981886190, 16 bytes long.
 Data: <0&#230;&#135; &#185;           > 30 E6 87 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B98187E630, 320 bytes long.
 Data: < a  &#185;   `   &#185;   > 90 61 88 81 B9 02 00 00 60 02 88 81 B9 02 00 00 
{276} normal block at 0x000002B981885830, 16 bytes long.
 Data: < e  &#185;           > 80 65 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B9818854C0, 16 bytes long.
 Data: <Xe  &#185;           > 58 65 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B98187FD20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002B9818856F0, 16 bytes long.
 Data: <0e  &#185;           > 30 65 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B981880380, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002B981886280, 16 bytes long.
 Data: <xd  &#185;           > 78 64 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B981885C40, 16 bytes long.
 Data: <Pd  &#185;           > 50 64 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B9818862D0, 16 bytes long.
 Data: <(d  &#185;           > 28 64 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B981885600, 16 bytes long.
 Data: < d  &#185;           > 00 64 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B981885BA0, 16 bytes long.
 Data: <&#216;c  &#185;           > D8 63 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B981885650, 16 bytes long.
 Data: <&#176;c  &#185;           > B0 63 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B981885F10, 16 bytes long.
 Data: <&#192;H  &#185;           > C0 48 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B9818848C0, 40 bytes long.
 Data: < _  &#185;    M  &#185;   > 10 5F 88 81 B9 02 00 00 20 4D 88 81 B9 02 00 00 
{262} normal block at 0x000002B981886230, 16 bytes long.
 Data: < c  &#185;           > 90 63 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B9818859C0, 16 bytes long.
 Data: <hc  &#185;           > 68 63 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B9818805C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002B981885DD0, 16 bytes long.
 Data: <@c  &#185;           > 40 63 88 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B981886340, 992 bytes long.
 Data: <&#208;]  &#185;   &#192;   &#185;   > D0 5D 88 81 B9 02 00 00 C0 05 88 81 B9 02 00 00 
{94} normal block at 0x000002B981880680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002B98187F140, 16 bytes long.
 Data: <P&#212;&#134; &#185;           > 50 D4 86 81 B9 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002B98186D450, 40 bytes long.
 Data: <@&#241;&#135; &#185;       &#185;   > 40 F1 87 81 B9 02 00 00 80 06 88 81 B9 02 00 00 
{71} normal block at 0x000002B98187E8D0, 16 bytes long.
 Data: < &#234;P&#197;&#247;           > 80 EA 50 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B98187E880, 16 bytes long.
 Data: <@&#233;P&#197;&#247;           > 40 E9 50 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B98187EBF0, 16 bytes long.
 Data: <&#248;WM&#197;&#247;           > F8 57 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B98187F280, 16 bytes long.
 Data: <&#216;WM&#197;&#247;           > D8 57 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B98187F730, 16 bytes long.
 Data: <P M&#197;&#247;           > 50 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B98187EE20, 16 bytes long.
 Data: <0 M&#197;&#247;           > 30 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B98187E920, 16 bytes long.
 Data: <&#224; M&#197;&#247;           > E0 02 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B98187EFB0, 16 bytes long.
 Data: <  M&#197;&#247;           > 10 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B98187F640, 16 bytes long.
 Data: <p M&#197;&#247;           > 70 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B98187F050, 16 bytes long.
 Data: < &#192;K&#197;&#247;           > 18 C0 4B C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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