Task 38680535

Name test_291-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9472_0
Workunit 31622252
Created 27 Oct 2026, 0:18:18 UTC
Sent 27 Oct 2026, 0:18:20 UTC
Report deadline 1 Nov 2026, 0:18:20 UTC
Received 27 Oct 2026, 0:55:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 33 min 41 sec
CPU time 32 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.57 MB
Peak swap size 3.54 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:22:44 (8400): wrapper (7.9.26016): starting
08:22:44 (8400): 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
08:22:46 (8400): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:22:46 (8400): 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 'D:\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 'D:\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
08:55:31 (8400): C:/Windows/system32/cmd.exe exited; CPU time 1947.406250
08:55:31 (8400): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25649735 bytes.
Dumping objects ->
{3835056} normal block at 0x0000025D677A2170, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x0000025D677A22C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x0000025D677A2A30, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x0000025D677A2870, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x0000025D65D0B280, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x0000025D67896930, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x0000025D65D08440, 200 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) : {3834967} normal block at 0x0000025D65D064F0, 8 bytes long.
 Data: <  &#204;e]   > 00 00 CC 65 5D 02 00 00 
{3834466} normal block at 0x0000025D65D09870, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000025D65D063B0, 8 bytes long.
 Data: < &#234;zg]   > 00 EA 7A 67 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000025D65D121D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025D65CF5B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000025D65D134E0, 16 bytes long.
 Data: <xD&#209;e]           > 78 44 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025D65D13E90, 16 bytes long.
 Data: <PD&#209;e]           > 50 44 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025D65D0D7B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000025D65D13B70, 16 bytes long.
 Data: <(D&#209;e]           > 28 44 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025D65D13530, 16 bytes long.
 Data: < D&#209;e]           > 00 44 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025D65D13CB0, 16 bytes long.
 Data: <&#216;C&#209;e]           > D8 43 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025D65D13C60, 16 bytes long.
 Data: <&#176;C&#209;e]           > B0 43 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025D65D0B4B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000025D65D13300, 16 bytes long.
 Data: < Z&#207;e]           > 98 5A CF 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025D65D0D2D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000025D65D13990, 16 bytes long.
 Data: <pZ&#207;e]           > 70 5A CF 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025D65D132B0, 16 bytes long.
 Data: <HZ&#207;e]           > 48 5A CF 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025D65D13440, 16 bytes long.
 Data: < Z&#207;e]           > 20 5A CF 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025D65D13E40, 16 bytes long.
 Data: <&#248;Y&#207;e]           > F8 59 CF 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025D65D131C0, 16 bytes long.
 Data: <&#208;Y&#207;e]           > D0 59 CF 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025D65D13800, 16 bytes long.
 Data: <&#168;Y&#207;e]           > A8 59 CF 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025D65D0DA50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000025D65D13030, 16 bytes long.
 Data: < Y&#207;e]           > 80 59 CF 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025D65CF5980, 320 bytes long.
 Data: <00&#209;e]   P&#218;&#208;e]   > 30 30 D1 65 5D 02 00 00 50 DA D0 65 5D 02 00 00 
{267} normal block at 0x0000025D65D13620, 16 bytes long.
 Data: < C&#209;e]           > 90 43 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025D65D13A80, 16 bytes long.
 Data: <hC&#209;e]           > 68 43 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025D65D0D9F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000025D65D13D50, 16 bytes long.
 Data: <@C&#209;e]           > 40 43 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025D65D0D150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000025D65D13170, 16 bytes long.
 Data: < B&#209;e]           > 88 42 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025D65D138F0, 16 bytes long.
 Data: <`B&#209;e]           > 60 42 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025D65D12FE0, 16 bytes long.
 Data: <8B&#209;e]           > 38 42 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025D65D13B20, 16 bytes long.
 Data: < B&#209;e]           > 10 42 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025D65D13260, 16 bytes long.
 Data: <&#232;A&#209;e]           > E8 41 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025D65D13DF0, 16 bytes long.
 Data: <&#192;A&#209;e]           > C0 41 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025D65D13350, 16 bytes long.
 Data: <&#208;&#179;&#208;e]           > D0 B3 D0 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000025D65D0B3D0, 40 bytes long.
 Data: <P3&#209;e]   0i&#137;g]   > 50 33 D1 65 5D 02 00 00 30 69 89 67 5D 02 00 00 
{253} normal block at 0x0000025D65D13940, 16 bytes long.
 Data: <&#160;A&#209;e]           > A0 41 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000025D65D138A0, 16 bytes long.
 Data: <xA&#209;e]           > 78 41 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000025D65D0D570, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000025D65D13A30, 16 bytes long.
 Data: <PA&#209;e]           > 50 41 D1 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000025D65D14150, 992 bytes long.
 Data: <0:&#209;e]   p&#213;&#208;e]   > 30 3A D1 65 5D 02 00 00 70 D5 D0 65 5D 02 00 00 
{85} normal block at 0x0000025D65D0DED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000025D65D06360, 16 bytes long.
 Data: <0&#177;&#208;e]           > 30 B1 D0 65 5D 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000025D65D0B130, 40 bytes long.
 Data: <`c&#208;e]   &#208;&#222;&#208;e]   > 60 63 D0 65 5D 02 00 00 D0 DE D0 65 5D 02 00 00 
{62} normal block at 0x0000025D65D06D10, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025D65D06B30, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025D65D06310, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025D65D06C70, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025D65D06F40, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025D65D06900, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000025D65D06770, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000025D65D06BD0, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000025D65D06DB0, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000025D65D070D0, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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