Task 38695593

Name test_205-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND6604_1
Workunit 31624917
Created 31 Oct 2026, 12:47:28 UTC
Sent 31 Oct 2026, 12:47:31 UTC
Report deadline 5 Nov 2026, 12:47:31 UTC
Received 31 Oct 2026, 13:24:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593616
Run time 34 min 27 sec
CPU time 31 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.34 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:49:57 (85032): wrapper (7.9.26016): starting
21:49:57 (85032): 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
21:49:59 (85032): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:49:59 (85032): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' &#130;&#205;&#129;A&#147;&#224;&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#130;&#220;&#130;&#189;&#130;&#205;&#138;O&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#129;A
&#145;&#128;&#141;&#236;&#137;&#194;&#148;\&#130;&#200;&#131;v&#131;&#141;&#131;O&#131;&#137;&#131;&#128;&#130;&#220;&#130;&#189;&#130;&#205;&#131;o&#131;b&#131;` &#131;t&#131;@&#131;C&#131;&#139;&#130;&#198;&#130;&#181;&#130;&#196;&#148;F&#142;&#175;&#130;&#179;&#130;&#234;&#130;&#196;&#130;&#162;&#130;&#220;&#130;&#185;&#130;&#241;&#129;B
  WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\15\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:\ProgramData\BOINC\slots\15\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
22:24:26 (85032): C:/Windows/system32/cmd.exe exited; CPU time 1907.031250
22:24:26 (85032): 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: 38747493 bytes.
Dumping objects ->
{3835329} normal block at 0x000002ABEA5C0C30, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x000002ABEA5C12C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x000002ABEA5C1250, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x000002ABEA5C11E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x000002ABEA5C0A00, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x000002ABEAA34B80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835241} normal block at 0x000002ABE8A6DE50, 8 bytes long.
 Data: <  &#164; &#171;   > 00 00 A4 E8 AB 02 00 00 
{3834077} normal block at 0x000002ABE8A6DE00, 8 bytes long.
 Data: <&#176;H&#169; &#171;   > B0 48 A9 EA AB 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002ABE8A73420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002ABE8A66F60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002ABE8A77070, 16 bytes long.
 Data: < t&#167; &#171;           > 08 74 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002ABE8A763A0, 16 bytes long.
 Data: < s&#167; &#171;           > E0 73 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002ABE8A70160, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002ABE8A76530, 16 bytes long.
 Data: <&#184;s&#167; &#171;           > B8 73 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002ABE8A76CB0, 16 bytes long.
 Data: < s&#167; &#171;           > 90 73 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002ABE8A76C60, 16 bytes long.
 Data: <hs&#167; &#171;           > 68 73 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002ABE8A76C10, 16 bytes long.
 Data: <@s&#167; &#171;           > 40 73 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002ABE8A71120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002ABE8A76BC0, 16 bytes long.
 Data: <  &#166; &#171;           > E8 98 A6 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002ABE8A70280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002ABE8A76670, 16 bytes long.
 Data: <&#192; &#166; &#171;           > C0 98 A6 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002ABE8A76B70, 16 bytes long.
 Data: <  &#166; &#171;           > 98 98 A6 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002ABE8A77020, 16 bytes long.
 Data: <p &#166; &#171;           > 70 98 A6 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002ABE8A767B0, 16 bytes long.
 Data: <H &#166; &#171;           > 48 98 A6 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002ABE8A764E0, 16 bytes long.
 Data: <  &#166; &#171;           > 20 98 A6 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002ABE8A76FD0, 16 bytes long.
 Data: <  &#166; &#171;           > F8 97 A6 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002ABE8A708E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002ABE8A76B20, 16 bytes long.
 Data: <&#208; &#166; &#171;           > D0 97 A6 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002ABE8A697D0, 320 bytes long.
 Data: < k&#167; &#171;     &#167; &#171;   > 20 6B A7 E8 AB 02 00 00 E0 08 A7 E8 AB 02 00 00 
{281} normal block at 0x000002ABE8A761C0, 16 bytes long.
 Data: < s&#167; &#171;           > 20 73 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002ABE8A76F80, 16 bytes long.
 Data: < r&#167; &#171;           > F8 72 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002ABE8A70880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002ABE8A76A80, 16 bytes long.
 Data: <&#208;r&#167; &#171;           > D0 72 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002ABE8A70100, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002ABE8A76620, 16 bytes long.
 Data: < r&#167; &#171;           > 18 72 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002ABE8A76DF0, 16 bytes long.
 Data: < q&#167; &#171;           > F0 71 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002ABE8A76800, 16 bytes long.
 Data: <&#200;q&#167; &#171;           > C8 71 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002ABE8A76940, 16 bytes long.
 Data: < q&#167; &#171;           > A0 71 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002ABE8A76F30, 16 bytes long.
 Data: <xq&#167; &#171;           > 78 71 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002ABE8A76E90, 16 bytes long.
 Data: <Pq&#167; &#171;           > 50 71 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002ABE8A76490, 16 bytes long.
 Data: <  &#167; &#171;           > A0 14 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002ABE8A714A0, 40 bytes long.
 Data: < d&#167; &#171;    K&#163; &#171;   > 90 64 A7 E8 AB 02 00 00 80 4B A3 EA AB 02 00 00 
{267} normal block at 0x000002ABE8A76A30, 16 bytes long.
 Data: <0q&#167; &#171;           > 30 71 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002ABE8A76AD0, 16 bytes long.
 Data: < q&#167; &#171;           > 08 71 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002ABE8A6FE00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002ABE8A76EE0, 16 bytes long.
 Data: < p&#167; &#171;           > E0 70 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002ABE8A770E0, 992 bytes long.
 Data: < n&#167; &#171;     &#166; &#171;   > E0 6E A7 E8 AB 02 00 00 00 FE A6 E8 AB 02 00 00 
{99} normal block at 0x000002ABE8A704C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002ABE8A6E3F0, 16 bytes long.
 Data: <&#176; &#167; &#171;           > B0 10 A7 E8 AB 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002ABE8A710B0, 40 bytes long.
 Data: <  &#166; &#171;   &#192; &#167; &#171;   > F0 E3 A6 E8 AB 02 00 00 C0 04 A7 E8 AB 02 00 00 
{74} normal block at 0x000002ABE8A6DA40, 16 bytes long.
 Data: <                > 80 EA 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002ABE8A6E990, 16 bytes long.
 Data: <@               > 40 E9 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002ABE8A6E4E0, 16 bytes long.
 Data: < W              > F8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002ABE8A6DFE0, 16 bytes long.
 Data: <&#216;W              > D8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002ABE8A6E940, 16 bytes long.
 Data: <P               > 50 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002ABE8A6E8A0, 16 bytes long.
 Data: <0               > 30 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002ABE8A6DD10, 16 bytes long.
 Data: <                > E0 02 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ABE8A6E210, 16 bytes long.
 Data: <                > 10 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ABE8A6E8F0, 16 bytes long.
 Data: <p               > 70 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ABE8A6DF40, 16 bytes long.
 Data: < &#192;              > 18 C0 81 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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