Task 38688461

Name test_703-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9644_0
Workunit 31629812
Created 28 Oct 2026, 14:05:16 UTC
Sent 28 Oct 2026, 14:05:19 UTC
Report deadline 2 Nov 2026, 14:05:19 UTC
Received 28 Oct 2026, 15:58:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623034
Run time 23 min 37 sec
CPU time 21 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.92 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:34:57 (3124): wrapper (7.9.26016): starting
10:34:57 (3124): 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
10:34:58 (3124): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:34:58 (3124): 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\24\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\24\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
10:57:51 (3124): C:/Windows/system32/cmd.exe exited; CPU time 1286.078125
10:57:51 (3124): 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: 28446517 bytes.
Dumping objects ->
{3835205} normal block at 0x00000210C77CCAC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000210C5A64AA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000210C5A64A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x00000210C5A649C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000210C5A64E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x00000210C7818380, 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) : {3835117} normal block at 0x00000210C5A5F0C0, 8 bytes long.
 Data: <  &#230;&#197;    > 00 00 E6 C5 10 02 00 00 
{3833969} normal block at 0x00000210C5A5F750, 8 bytes long.
 Data: <&#160;X&#135;&#199;    > A0 58 87 C7 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000210C5A61270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000210C5A56170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000210C5A662A0, 16 bytes long.
 Data: < f&#166;&#197;            > 88 66 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000210C5A65620, 16 bytes long.
 Data: <`f&#166;&#197;            > 60 66 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000210C5A60640, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000210C5A655D0, 16 bytes long.
 Data: <8f&#166;&#197;            > 38 66 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000210C5A65B20, 16 bytes long.
 Data: < f&#166;&#197;            > 10 66 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000210C5A657B0, 16 bytes long.
 Data: <&#232;e&#166;&#197;            > E8 65 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000210C5A65670, 16 bytes long.
 Data: <&#192;e&#166;&#197;            > C0 65 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000210C5A64800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000210C5A658F0, 16 bytes long.
 Data: <(&#244;&#164;&#197;            > 28 F4 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000210C5A5F920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000210C5A656C0, 16 bytes long.
 Data: < &#244;&#164;&#197;            > 00 F4 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000210C5A65EE0, 16 bytes long.
 Data: <&#216;&#243;&#164;&#197;            > D8 F3 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000210C5A658A0, 16 bytes long.
 Data: <&#176;&#243;&#164;&#197;            > B0 F3 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000210C5A65760, 16 bytes long.
 Data: < &#243;&#164;&#197;            > 88 F3 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000210C5A65580, 16 bytes long.
 Data: <`&#243;&#164;&#197;            > 60 F3 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000210C5A65E90, 16 bytes long.
 Data: <8&#243;&#164;&#197;            > 38 F3 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000210C5A604C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000210C5A66250, 16 bytes long.
 Data: < &#243;&#164;&#197;            > 10 F3 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000210C5A4F310, 320 bytes long.
 Data: <Pb&#166;&#197;    &#192; &#166;&#197;    > 50 62 A6 C5 10 02 00 00 C0 04 A6 C5 10 02 00 00 
{280} normal block at 0x00000210C5A65DA0, 16 bytes long.
 Data: <&#160;e&#166;&#197;            > A0 65 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000210C5A65E40, 16 bytes long.
 Data: <xe&#166;&#197;            > 78 65 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000210C5A605E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000210C5A65530, 16 bytes long.
 Data: <Pe&#166;&#197;            > 50 65 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000210C5A5F860, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000210C5A65F30, 16 bytes long.
 Data: < d&#166;&#197;            > 98 64 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000210C5A654E0, 16 bytes long.
 Data: <pd&#166;&#197;            > 70 64 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000210C5A65CB0, 16 bytes long.
 Data: <Hd&#166;&#197;            > 48 64 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000210C5A65BC0, 16 bytes long.
 Data: < d&#166;&#197;            > 20 64 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000210C5A65490, 16 bytes long.
 Data: <&#248;c&#166;&#197;            > F8 63 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000210C5A65D50, 16 bytes long.
 Data: <&#208;c&#166;&#197;            > D0 63 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000210C5A65710, 16 bytes long.
 Data: <@M&#166;&#197;            > 40 4D A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000210C5A64D40, 40 bytes long.
 Data: < W&#166;&#197;     &#131; &#199;    > 10 57 A6 C5 10 02 00 00 80 83 81 C7 10 02 00 00 
{266} normal block at 0x00000210C5A65B70, 16 bytes long.
 Data: <&#176;c&#166;&#197;            > B0 63 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000210C5A66160, 16 bytes long.
 Data: < c&#166;&#197;            > 88 63 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000210C5A5F8C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000210C5A65FD0, 16 bytes long.
 Data: <`c&#166;&#197;            > 60 63 A6 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000210C5A66360, 992 bytes long.
 Data: <&#208;_&#166;&#197;    &#192;&#248;&#165;&#197;    > D0 5F A6 C5 10 02 00 00 C0 F8 A5 C5 10 02 00 00 
{98} normal block at 0x00000210C5A5FE00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000210C5A5F110, 16 bytes long.
 Data: <0&#225;&#164;&#197;            > 30 E1 A4 C5 10 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000210C5A4E130, 40 bytes long.
 Data: < &#241;&#165;&#197;     &#254;&#165;&#197;    > 10 F1 A5 C5 10 02 00 00 00 FE A5 C5 10 02 00 00 
{75} normal block at 0x00000210C5A5EF30, 16 bytes long.
 Data: < &#234;`&#139;&#246;           > 80 EA 60 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000210C5A5EE90, 16 bytes long.
 Data: <@&#233;`&#139;&#246;           > 40 E9 60 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000210C5A5EDA0, 16 bytes long.
 Data: <&#248;W]&#139;&#246;           > F8 57 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000210C5A5EF80, 16 bytes long.
 Data: <&#216;W]&#139;&#246;           > D8 57 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000210C5A5EC60, 16 bytes long.
 Data: <P ]&#139;&#246;           > 50 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000210C5A5EB20, 16 bytes long.
 Data: <0 ]&#139;&#246;           > 30 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000210C5A5F250, 16 bytes long.
 Data: <&#224; ]&#139;&#246;           > E0 02 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000210C5A5F070, 16 bytes long.
 Data: <  ]&#139;&#246;           > 10 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000210C5A5F700, 16 bytes long.
 Data: <p ]&#139;&#246;           > 70 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000210C5A5E850, 16 bytes long.
 Data: < &#192;[&#139;&#246;           > 18 C0 5B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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