Task 38688798

Name test_217-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8486_0
Workunit 31630113
Created 28 Oct 2026, 16:13:15 UTC
Sent 28 Oct 2026, 16:13:24 UTC
Report deadline 2 Nov 2026, 16:13:24 UTC
Received 28 Oct 2026, 18:44:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654638
Run time 54 min 11 sec
CPU time 47 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,725.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.15 MB
Peak swap size 5.43 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:50:43 (28996): wrapper (7.9.26016): starting
18:50:43 (28996): 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
18:50:45 (28996): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:50:45 (28996): 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\0\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\0\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
19:42:26 (28996): C:/Windows/system32/cmd.exe exited; CPU time 2839.093750
19:42:26 (28996): 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: 71365127 bytes.
Dumping objects ->
{3835437} normal block at 0x000002490A41A710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000002490A41B270, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x000002490A41A860, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x000002490A3F59D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000002490A3F5650, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x000002490BFEAE70, 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) : {3835349} normal block at 0x000002490A3EE2E0, 8 bytes long.
 Data: <  7 I   > 00 00 37 0A 49 02 00 00 
{3833967} normal block at 0x000002490A3EE290, 8 bytes long.
 Data: <&#240;P  I   > F0 50 07 0C 49 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002490A3F1E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002490A3E69F0, 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 0x000002490A3F6310, 16 bytes long.
 Data: <8r? I           > 38 72 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002490A3F6040, 16 bytes long.
 Data: < r? I           > 10 72 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002490A3EFDF0, 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 0x000002490A3F61D0, 16 bytes long.
 Data: <&#232;q? I           > E8 71 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002490A3F6180, 16 bytes long.
 Data: <&#192;q? I           > C0 71 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002490A3F62C0, 16 bytes long.
 Data: < q? I           > 98 71 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002490A3F6400, 16 bytes long.
 Data: <pq? I           > 70 71 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002490A3F53B0, 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 0x000002490A3F6540, 16 bytes long.
 Data: <X&#250;= I           > 58 FA 3D 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002490A3EFA30, 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 0x000002490A3F6130, 16 bytes long.
 Data: <0&#250;= I           > 30 FA 3D 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002490A3F64F0, 16 bytes long.
 Data: < &#250;= I           > 08 FA 3D 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002490A3F6680, 16 bytes long.
 Data: <&#224;&#249;= I           > E0 F9 3D 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002490A3F5FA0, 16 bytes long.
 Data: <&#184;&#249;= I           > B8 F9 3D 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002490A3F63B0, 16 bytes long.
 Data: < &#249;= I           > 90 F9 3D 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002490A3F68B0, 16 bytes long.
 Data: <h&#249;= I           > 68 F9 3D 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002490A3EFEB0, 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 0x000002490A3F6860, 16 bytes long.
 Data: <@&#249;= I           > 40 F9 3D 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002490A3DF940, 320 bytes long.
 Data: <`h? I   &#176;&#254;> I   > 60 68 3F 0A 49 02 00 00 B0 FE 3E 0A 49 02 00 00 
{279} normal block at 0x000002490A3F6220, 16 bytes long.
 Data: <Pq? I           > 50 71 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002490A3F6810, 16 bytes long.
 Data: <(q? I           > 28 71 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002490A3F0510, 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 0x000002490A3F6270, 16 bytes long.
 Data: < q? I           > 00 71 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002490A3F0390, 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 0x000002490A3F5FF0, 16 bytes long.
 Data: <Hp? I           > 48 70 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002490A3F67C0, 16 bytes long.
 Data: < p? I           > 20 70 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002490A3F5F50, 16 bytes long.
 Data: <&#248;o? I           > F8 6F 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002490A3F6D60, 16 bytes long.
 Data: <&#208;o? I           > D0 6F 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002490A3F6360, 16 bytes long.
 Data: <&#168;o? I           > A8 6F 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002490A3F6E50, 16 bytes long.
 Data: < o? I           > 80 6F 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002490A3F6900, 16 bytes long.
 Data: <&#192;V? I           > C0 56 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002490A3F56C0, 40 bytes long.
 Data: < i? I   p&#174;&#254; I   > 00 69 3F 0A 49 02 00 00 70 AE FE 0B 49 02 00 00 
{265} normal block at 0x000002490A3F6EA0, 16 bytes long.
 Data: <`o? I           > 60 6F 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002490A3F6770, 16 bytes long.
 Data: <8o? I           > 38 6F 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002490A3EFA90, 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 0x000002490A3F6720, 16 bytes long.
 Data: < o? I           > 10 6F 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002490A3F6F10, 992 bytes long.
 Data: < g? I    &#250;> I   > 20 67 3F 0A 49 02 00 00 90 FA 3E 0A 49 02 00 00 
{97} normal block at 0x000002490A3F01B0, 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 0x000002490A3EE510, 16 bytes long.
 Data: < T? I           > 90 54 3F 0A 49 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002490A3F5490, 40 bytes long.
 Data: < &#229;> I   &#176; ? I   > 10 E5 3E 0A 49 02 00 00 B0 01 3F 0A 49 02 00 00 
{74} normal block at 0x000002490A3EDFC0, 16 bytes long.
 Data: < &#234;&#239;&#149;&#246;           > 80 EA EF 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002490A3EE6A0, 16 bytes long.
 Data: <@&#233;&#239;&#149;&#246;           > 40 E9 EF 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002490A3EDCA0, 16 bytes long.
 Data: <&#248;W&#236;&#149;&#246;           > F8 57 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002490A3EE010, 16 bytes long.
 Data: <&#216;W&#236;&#149;&#246;           > D8 57 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002490A3EDDE0, 16 bytes long.
 Data: <P &#236;&#149;&#246;           > 50 04 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002490A3EE470, 16 bytes long.
 Data: <0 &#236;&#149;&#246;           > 30 04 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002490A3EE0B0, 16 bytes long.
 Data: <&#224; &#236;&#149;&#246;           > E0 02 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002490A3EE4C0, 16 bytes long.
 Data: <  &#236;&#149;&#246;           > 10 04 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002490A3EDD90, 16 bytes long.
 Data: <p &#236;&#149;&#246;           > 70 04 EC 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002490A3EE6F0, 16 bytes long.
 Data: < &#192;&#234;&#149;&#246;           > 18 C0 EA 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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