Task 38674875

Name test_365-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND3465_1
Workunit 31616848
Created 26 Oct 2026, 6:34:05 UTC
Sent 26 Oct 2026, 6:34:07 UTC
Report deadline 31 Oct 2026, 6:34:07 UTC
Received 26 Oct 2026, 7:39:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609406
Run time 1 hours 2 min 25 sec
CPU time 58 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,072.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.63 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:37:34 (30192): wrapper (7.9.26016): starting
23:37:34 (30192): 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
23:37:36 (30192): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:37:36 (30192): 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
00:38:30 (30192): C:/Windows/system32/cmd.exe exited; CPU time 3536.265625
00:38:30 (30192): 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: 74782241 bytes.
Dumping objects ->
{3835195} normal block at 0x000002358EF1A1A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000002358EF19560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000002358EF1A210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835162} normal block at 0x000002358D1F4A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000002358D1F46A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835120} normal block at 0x000002358EF0A1C0, 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) : {3835107} normal block at 0x000002358D1EED30, 8 bytes long.
 Data: <    5   > 00 00 19 8D 35 02 00 00 
{3833957} normal block at 0x000002358D1EF280, 8 bytes long.
 Data: <&#176;7&#246;&#142;5   > B0 37 F6 8E 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002358D1F1390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002358D1E5F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002358D1F6240, 16 bytes long.
 Data: < U  5           > 18 55 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002358D1F5AC0, 16 bytes long.
 Data: <&#240;T  5           > F0 54 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002358D1EFAC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002358D1F62E0, 16 bytes long.
 Data: <&#200;T  5           > C8 54 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002358D1F6560, 16 bytes long.
 Data: <&#160;T  5           > A0 54 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002358D1F6010, 16 bytes long.
 Data: <xT  5           > 78 54 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002358D1F5750, 16 bytes long.
 Data: <PT  5           > 50 54 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002358D1F4BE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002358D1F6290, 16 bytes long.
 Data: <&#216;&#230;  5           > D8 E6 1D 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002358D1F05A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002358D1F5980, 16 bytes long.
 Data: <&#176;&#230;  5           > B0 E6 1D 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002358D1F56B0, 16 bytes long.
 Data: < &#230;  5           > 88 E6 1D 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002358D1F5A70, 16 bytes long.
 Data: <`&#230;  5           > 60 E6 1D 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002358D1F5890, 16 bytes long.
 Data: <8&#230;  5           > 38 E6 1D 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002358D1F5B60, 16 bytes long.
 Data: < &#230;  5           > 10 E6 1D 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002358D1F5F70, 16 bytes long.
 Data: <&#232;&#229;  5           > E8 E5 1D 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002358D1F0000, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002358D1F5930, 16 bytes long.
 Data: <&#192;&#229;  5           > C0 E5 1D 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002358D1DE5C0, 320 bytes long.
 Data: <0Y  5       5   > 30 59 1F 8D 35 02 00 00 00 00 1F 8D 35 02 00 00 
{274} normal block at 0x000002358D1F59D0, 16 bytes long.
 Data: <0T  5           > 30 54 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002358D1F61F0, 16 bytes long.
 Data: < T  5           > 08 54 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002358D1EF7C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002358D1F6100, 16 bytes long.
 Data: <&#224;S  5           > E0 53 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002358D1F0540, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002358D1F64C0, 16 bytes long.
 Data: <(S  5           > 28 53 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002358D1F5840, 16 bytes long.
 Data: < S  5           > 00 53 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002358D1F5A20, 16 bytes long.
 Data: <&#216;R  5           > D8 52 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002358D1F5F20, 16 bytes long.
 Data: <&#176;R  5           > B0 52 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002358D1F60B0, 16 bytes long.
 Data: < R  5           > 88 52 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002358D1EF050, 16 bytes long.
 Data: <`R  5           > 60 52 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002358D1EEF60, 16 bytes long.
 Data: <0M  5           > 30 4D 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002358D1F4D30, 40 bytes long.
 Data: <`&#239;  5   &#192;&#161;&#240;&#142;5   > 60 EF 1E 8D 35 02 00 00 C0 A1 F0 8E 35 02 00 00 
{260} normal block at 0x000002358D1EEF10, 16 bytes long.
 Data: <@R  5           > 40 52 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002358D1EEA10, 16 bytes long.
 Data: < R  5           > 18 52 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002358D1EFEE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002358D1EE790, 16 bytes long.
 Data: <&#240;Q  5           > F0 51 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002358D1F51F0, 992 bytes long.
 Data: < &#231;  5   &#224;&#254;  5   > 90 E7 1E 8D 35 02 00 00 E0 FE 1E 8D 35 02 00 00 
{92} normal block at 0x000002358D1EF880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002358D1EE970, 16 bytes long.
 Data: <&#240;G  5           > F0 47 1F 8D 35 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002358D1F47F0, 40 bytes long.
 Data: <p&#233;  5    &#248;  5   > 70 E9 1E 8D 35 02 00 00 80 F8 1E 8D 35 02 00 00 
{69} normal block at 0x000002358D1EF4B0, 16 bytes long.
 Data: < &#234;{&#199;&#247;           > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002358D1EF0F0, 16 bytes long.
 Data: <@&#233;{&#199;&#247;           > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002358D1EF140, 16 bytes long.
 Data: <&#248;Wx&#199;&#247;           > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002358D1EF190, 16 bytes long.
 Data: <&#216;Wx&#199;&#247;           > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002358D1EEA60, 16 bytes long.
 Data: <P x&#199;&#247;           > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002358D1EEEC0, 16 bytes long.
 Data: <0 x&#199;&#247;           > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002358D1EF3C0, 16 bytes long.
 Data: <&#224; x&#199;&#247;           > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002358D1EEB50, 16 bytes long.
 Data: <  x&#199;&#247;           > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002358D1EE880, 16 bytes long.
 Data: <p x&#199;&#247;           > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002358D1EE830, 16 bytes long.
 Data: < &#192;v&#199;&#247;           > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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