Task 38689577

Name test_698-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2961_0
Workunit 31630818
Created 28 Oct 2026, 21:56:00 UTC
Sent 28 Oct 2026, 21:56:05 UTC
Report deadline 2 Nov 2026, 21:56:05 UTC
Received 28 Oct 2026, 22:34:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 19 min 9 sec
CPU time 17 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.72 MB
Peak swap size 6.95 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:14:48 (1280): wrapper (7.9.26016): starting
23:14:48 (1280): 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
23:14:49 (1280): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:14:49 (1280): 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 'E:\BOINC\data\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 'E:\BOINC\data\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
23:32:46 (1280): C:/Windows/system32/cmd.exe exited; CPU time 1056.250000
23:32:46 (1280): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 25228293 bytes.
Dumping objects ->
{3835311} normal block at 0x0000021CF0785970, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x0000021CF0742550, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x0000021CF0742790, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x0000021CF0742490, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x0000021CF0742D90, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x0000021CF0785900, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x0000021CF070FD60, 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) : {3835222} normal block at 0x0000021CEE97EB30, 8 bytes long.
 Data: <  &#221;&#238;    > 00 00 DD EE 1C 02 00 00 
{3834590} normal block at 0x0000021CF070FAA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x0000021CEE97F030, 8 bytes long.
 Data: < Du&#240;    > 20 44 75 F0 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000021CEE976CE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000021CEE978690, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000021CEE986530, 16 bytes long.
 Data: <Hu &#238;            > 48 75 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000021CEE9862B0, 16 bytes long.
 Data: < u &#238;            > 20 75 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000021CEE9812B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000021CEE986C60, 16 bytes long.
 Data: <&#248;t &#238;            > F8 74 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021CEE986B70, 16 bytes long.
 Data: <&#208;t &#238;            > D0 74 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021CEE986260, 16 bytes long.
 Data: <&#168;t &#238;            > A8 74 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021CEE986B20, 16 bytes long.
 Data: < t &#238;            > 80 74 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021CEE9848B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000021CEE987110, 16 bytes long.
 Data: <  &#151;&#238;            > 18 07 97 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021CEE981850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000021CEE9864E0, 16 bytes long.
 Data: <&#240; &#151;&#238;            > F0 06 97 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021CEE986DF0, 16 bytes long.
 Data: <&#200; &#151;&#238;            > C8 06 97 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021CEE986AD0, 16 bytes long.
 Data: <&#160; &#151;&#238;            > A0 06 97 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021CEE986940, 16 bytes long.
 Data: <x &#151;&#238;            > 78 06 97 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021CEE986A80, 16 bytes long.
 Data: <P &#151;&#238;            > 50 06 97 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021CEE9868F0, 16 bytes long.
 Data: <( &#151;&#238;            > 28 06 97 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021CEE981130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x0000021CEE986490, 16 bytes long.
 Data: <  &#151;&#238;            > 00 06 97 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021CEE970600, 320 bytes long.
 Data: < d &#238;    0  &#238;    > 90 64 98 EE 1C 02 00 00 30 11 98 EE 1C 02 00 00 
{284} normal block at 0x0000021CEE986710, 16 bytes long.
 Data: <`t &#238;            > 60 74 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021CEE987160, 16 bytes long.
 Data: <8t &#238;            > 38 74 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021CEE981010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000021CEE986850, 16 bytes long.
 Data: < t &#238;            > 10 74 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021CEE980C50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000021CEE986A30, 16 bytes long.
 Data: <Xs &#238;            > 58 73 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021CEE9871B0, 16 bytes long.
 Data: <0s &#238;            > 30 73 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021CEE9870C0, 16 bytes long.
 Data: < s &#238;            > 08 73 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021CEE986760, 16 bytes long.
 Data: <&#224;r &#238;            > E0 72 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021CEE9869E0, 16 bytes long.
 Data: <&#184;r &#238;            > B8 72 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021CEE986C10, 16 bytes long.
 Data: < r &#238;            > 90 72 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021CEE9867B0, 16 bytes long.
 Data: <&#240;F &#238;            > F0 46 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021CEE9846F0, 40 bytes long.
 Data: <&#176;g &#238;     Yx&#240;    > B0 67 98 EE 1C 02 00 00 00 59 78 F0 1C 02 00 00 
{270} normal block at 0x0000021CEE9863F0, 16 bytes long.
 Data: <pr &#238;            > 70 72 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021CEE986BC0, 16 bytes long.
 Data: <Hr &#238;            > 48 72 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021CEE981490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000021CEE987070, 16 bytes long.
 Data: < r &#238;            > 20 72 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021CEE987220, 992 bytes long.
 Data: <pp &#238;       &#238;    > 70 70 98 EE 1C 02 00 00 90 14 98 EE 1C 02 00 00 
{102} normal block at 0x0000021CEE980F50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000021CEE97F800, 16 bytes long.
 Data: < I &#238;            > 90 49 98 EE 1C 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000021CEE984990, 40 bytes long.
 Data: < &#248;&#151;&#238;    P  &#238;    > 00 F8 97 EE 1C 02 00 00 50 0F 98 EE 1C 02 00 00 
{79} normal block at 0x0000021CEE97ECC0, 16 bytes long.
 Data: < &#234;>}&#246;           > 80 EA 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000021CEE97EFE0, 16 bytes long.
 Data: <@&#233;>}&#246;           > 40 E9 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000021CEE97F760, 16 bytes long.
 Data: <&#248;W;}&#246;           > F8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000021CEE97EEA0, 16 bytes long.
 Data: <&#216;W;}&#246;           > D8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000021CEE97EC70, 16 bytes long.
 Data: <P ;}&#246;           > 50 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021CEE97F3A0, 16 bytes long.
 Data: <0 ;}&#246;           > 30 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021CEE97EF40, 16 bytes long.
 Data: <&#224; ;}&#246;           > E0 02 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021CEE97F620, 16 bytes long.
 Data: <  ;}&#246;           > 10 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021CEE97EAE0, 16 bytes long.
 Data: <p ;}&#246;           > 70 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021CEE97EF90, 16 bytes long.
 Data: < &#192;9}&#246;           > 18 C0 39 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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