Task 38668815

Name test_628-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5475_0
Workunit 31611253
Created 25 Oct 2026, 12:51:49 UTC
Sent 25 Oct 2026, 12:51:55 UTC
Report deadline 30 Oct 2026, 12:51:55 UTC
Received 25 Oct 2026, 13:23:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606178
Run time 30 min 25 sec
CPU time 28 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.11 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
13:53:35 (8648): wrapper (7.9.26016): starting
13:53:35 (8648): 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
13:53:36 (8648): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:53:36 (8648): 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\1\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\1\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
14:22:57 (8648): C:/Windows/system32/cmd.exe exited; CPU time 1737.375000
14:22:57 (8648): 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: 34695353 bytes.
Dumping objects ->
{3835262} normal block at 0x0000021923CCB450, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x0000021923CCAB90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000021923CCA9D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x0000021923CCB290, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000021923CCAC00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x0000021925A1D690, 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) : {3835174} normal block at 0x0000021923CA0000, 8 bytes long.
 Data: <   $    > 00 00 15 24 19 02 00 00 
{3833967} normal block at 0x0000021923C9FB50, 8 bytes long.
 Data: < w&#167;%    > 90 77 A7 25 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021923CA3240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021923C97960, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000021923CA8270, 16 bytes long.
 Data: < &#135;&#202;#            > 98 87 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021923CA7CD0, 16 bytes long.
 Data: <p&#135;&#202;#            > 70 87 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021923CA1D90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000021923CA7AF0, 16 bytes long.
 Data: <H&#135;&#202;#            > 48 87 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021923CA7A50, 16 bytes long.
 Data: < &#135;&#202;#            > 20 87 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021923CA82C0, 16 bytes long.
 Data: <&#248;&#134;&#202;#            > F8 86 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021923CA8040, 16 bytes long.
 Data: <&#208;&#134;&#202;#            > D0 86 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021923CA5860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000021923CA7960, 16 bytes long.
 Data: <  &#201;#            > 98 04 C9 23 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021923CA1D30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000021923CA7910, 16 bytes long.
 Data: <p &#201;#            > 70 04 C9 23 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021923CA7A00, 16 bytes long.
 Data: <H &#201;#            > 48 04 C9 23 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021923CA7730, 16 bytes long.
 Data: <  &#201;#            > 20 04 C9 23 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021923CA79B0, 16 bytes long.
 Data: <&#248; &#201;#            > F8 03 C9 23 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021923CA7500, 16 bytes long.
 Data: <&#208; &#201;#            > D0 03 C9 23 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021923CA76E0, 16 bytes long.
 Data: <&#168; &#201;#            > A8 03 C9 23 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021923CA1C70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000021923CA74B0, 16 bytes long.
 Data: <  &#201;#            > 80 03 C9 23 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021923C90380, 320 bytes long.
 Data: <&#176;t&#202;#    p &#202;#    > B0 74 CA 23 19 02 00 00 70 1C CA 23 19 02 00 00 
{279} normal block at 0x0000021923CA75A0, 16 bytes long.
 Data: <&#176;&#134;&#202;#            > B0 86 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021923CA7BE0, 16 bytes long.
 Data: < &#134;&#202;#            > 88 86 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021923CA2570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000021923CA7870, 16 bytes long.
 Data: <`&#134;&#202;#            > 60 86 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021923CA2510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000021923CA83B0, 16 bytes long.
 Data: <&#168;&#133;&#202;#            > A8 85 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021923CA7C30, 16 bytes long.
 Data: < &#133;&#202;#            > 80 85 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021923CA7AA0, 16 bytes long.
 Data: <X&#133;&#202;#            > 58 85 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021923CA80E0, 16 bytes long.
 Data: <0&#133;&#202;#            > 30 85 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021923CA7DC0, 16 bytes long.
 Data: < &#133;&#202;#            > 08 85 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021923CA7F50, 16 bytes long.
 Data: <&#224;&#132;&#202;#            > E0 84 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021923CA7780, 16 bytes long.
 Data: <`_&#202;#            > 60 5F CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021923CA5F60, 40 bytes long.
 Data: < w&#202;#     &#214;&#161;%    > 80 77 CA 23 19 02 00 00 90 D6 A1 25 19 02 00 00 
{265} normal block at 0x0000021923CA77D0, 16 bytes long.
 Data: <&#192;&#132;&#202;#            > C0 84 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021923CA75F0, 16 bytes long.
 Data: < &#132;&#202;#            > 98 84 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021923CA2450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000021923CA8360, 16 bytes long.
 Data: <p&#132;&#202;#            > 70 84 CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021923CA8470, 992 bytes long.
 Data: <`&#131;&#202;#    P$&#202;#    > 60 83 CA 23 19 02 00 00 50 24 CA 23 19 02 00 00 
{97} normal block at 0x0000021923CA1970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000021923C9F8D0, 16 bytes long.
 Data: <P\&#202;#            > 50 5C CA 23 19 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000021923CA5C50, 40 bytes long.
 Data: <&#208;&#248;&#201;#    p &#202;#    > D0 F8 C9 23 19 02 00 00 70 19 CA 23 19 02 00 00 
{74} normal block at 0x0000021923C9F6F0, 16 bytes long.
 Data: < &#234;&#186; &#246;           > 80 EA BA 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021923C9F600, 16 bytes long.
 Data: <@&#233;&#186; &#246;           > 40 E9 BA 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021923C9F5B0, 16 bytes long.
 Data: <&#248;W&#183; &#246;           > F8 57 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021923C9FB00, 16 bytes long.
 Data: <&#216;W&#183; &#246;           > D8 57 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021923C9FC90, 16 bytes long.
 Data: <P &#183; &#246;           > 50 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021923CA0280, 16 bytes long.
 Data: <0 &#183; &#246;           > 30 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021923C9F880, 16 bytes long.
 Data: <&#224; &#183; &#246;           > E0 02 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021923C9FD30, 16 bytes long.
 Data: <  &#183; &#246;           > 10 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021923C9FC40, 16 bytes long.
 Data: <p &#183; &#246;           > 70 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021923C9F7E0, 16 bytes long.
 Data: < &#192;&#181; &#246;           > 18 C0 B5 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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