Task 38667004

Name test_129-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3328_1
Workunit 31609652
Created 25 Oct 2026, 5:52:24 UTC
Sent 25 Oct 2026, 5:56:50 UTC
Report deadline 30 Oct 2026, 5:56:50 UTC
Received 25 Oct 2026, 7:04:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652808
Run time 30 min 9 sec
CPU time 26 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.64 MB
Peak swap size 5.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:34:56 (23344): wrapper (7.9.26016): starting
07:34:56 (23344): 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
07:34:57 (23344): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:34:57 (23344): 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
08:03:57 (23344): C:/Windows/system32/cmd.exe exited; CPU time 1592.656250
08:03:57 (23344): 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: 29170125 bytes.
Dumping objects ->
{3835189} normal block at 0x0000024EE67AB2E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835178} normal block at 0x0000024EE67856F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x0000024EE6785760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835156} normal block at 0x0000024EE6785680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x0000024EE6785140, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835114} normal block at 0x0000024EE8439830, 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) : {3835101} normal block at 0x0000024EE6780750, 8 bytes long.
 Data: <  u&#230;N   > 00 00 75 E6 4E 02 00 00 
{3833953} normal block at 0x0000024EE67805C0, 8 bytes long.
 Data: < &#162;z&#230;N   > 10 A2 7A E6 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000024EE6781800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024EE6775CA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000024EE67865E0, 16 bytes long.
 Data: <8&#235;w&#230;N           > 38 EB 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024EE6785FA0, 16 bytes long.
 Data: < &#235;w&#230;N           > 10 EB 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024EE677F900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000024EE6786180, 16 bytes long.
 Data: <&#232;&#234;w&#230;N           > E8 EA 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024EE6785A50, 16 bytes long.
 Data: <&#192;&#234;w&#230;N           > C0 EA 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024EE67864A0, 16 bytes long.
 Data: < &#234;w&#230;N           > 98 EA 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024EE6786310, 16 bytes long.
 Data: <p&#234;w&#230;N           > 70 EA 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024EE6785300, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000024EE67859B0, 16 bytes long.
 Data: < &#185;v&#230;N           > 18 B9 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024EE677F6C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000024EE6785E60, 16 bytes long.
 Data: <&#240;&#184;v&#230;N           > F0 B8 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024EE6786590, 16 bytes long.
 Data: <&#200;&#184;v&#230;N           > C8 B8 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024EE6786450, 16 bytes long.
 Data: <&#160;&#184;v&#230;N           > A0 B8 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024EE67866D0, 16 bytes long.
 Data: <x&#184;v&#230;N           > 78 B8 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024EE6786130, 16 bytes long.
 Data: <P&#184;v&#230;N           > 50 B8 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024EE6785F00, 16 bytes long.
 Data: <(&#184;v&#230;N           > 28 B8 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024EE677EEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000024EE67864F0, 16 bytes long.
 Data: < &#184;v&#230;N           > 00 B8 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024EE676B800, 320 bytes long.
 Data: <&#240;dx&#230;N   &#224;&#238;w&#230;N   > F0 64 78 E6 4E 02 00 00 E0 EE 77 E6 4E 02 00 00 
{272} normal block at 0x0000024EE6786540, 16 bytes long.
 Data: <P&#234;w&#230;N           > 50 EA 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024EE67860E0, 16 bytes long.
 Data: <(&#234;w&#230;N           > 28 EA 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024EE677F780, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000024EE6785A00, 16 bytes long.
 Data: < &#234;w&#230;N           > 00 EA 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024EE677F720, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000024EE67862C0, 16 bytes long.
 Data: <H&#233;w&#230;N           > 48 E9 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024EE6786630, 16 bytes long.
 Data: < &#233;w&#230;N           > 20 E9 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024EE67858C0, 16 bytes long.
 Data: <&#248;&#232;w&#230;N           > F8 E8 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024EE6786680, 16 bytes long.
 Data: <&#208;&#232;w&#230;N           > D0 E8 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024EE6785C80, 16 bytes long.
 Data: <&#168;&#232;w&#230;N           > A8 E8 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024EE6786090, 16 bytes long.
 Data: < &#232;w&#230;N           > 80 E8 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024EE6785BE0, 16 bytes long.
 Data: < Rx&#230;N           > 90 52 78 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024EE6785290, 40 bytes long.
 Data: <&#224;[x&#230;N   0 C&#232;N   > E0 5B 78 E6 4E 02 00 00 30 98 43 E8 4E 02 00 00 
{258} normal block at 0x0000024EE6785C30, 16 bytes long.
 Data: <`&#232;w&#230;N           > 60 E8 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024EE6785CD0, 16 bytes long.
 Data: <8&#232;w&#230;N           > 38 E8 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024EE677F9C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000024EE6785F50, 16 bytes long.
 Data: < &#232;w&#230;N           > 10 E8 77 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024EE677E810, 992 bytes long.
 Data: <P_x&#230;N   &#192;&#249;w&#230;N   > 50 5F 78 E6 4E 02 00 00 C0 F9 77 E6 4E 02 00 00 
{90} normal block at 0x0000024EE677FA80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000024EE677FEE0, 16 bytes long.
 Data: <&#208;&#202;v&#230;N           > D0 CA 76 E6 4E 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000024EE676CAD0, 40 bytes long.
 Data: <&#224;&#254;w&#230;N    &#250;w&#230;N   > E0 FE 77 E6 4E 02 00 00 80 FA 77 E6 4E 02 00 00 
{67} normal block at 0x0000024EE6780160, 16 bytes long.
 Data: < &#234;&#186;&#146;&#246;           > 80 EA BA 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024EE677FD00, 16 bytes long.
 Data: <@&#233;&#186;&#146;&#246;           > 40 E9 BA 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024EE6780020, 16 bytes long.
 Data: <&#248;W&#183;&#146;&#246;           > F8 57 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024EE6780660, 16 bytes long.
 Data: <&#216;W&#183;&#146;&#246;           > D8 57 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024EE6780340, 16 bytes long.
 Data: <P &#183;&#146;&#246;           > 50 04 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024EE67801B0, 16 bytes long.
 Data: <0 &#183;&#146;&#246;           > 30 04 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024EE677FCB0, 16 bytes long.
 Data: <&#224; &#183;&#146;&#246;           > E0 02 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024EE67807F0, 16 bytes long.
 Data: <  &#183;&#146;&#246;           > 10 04 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024EE677FE90, 16 bytes long.
 Data: <p &#183;&#146;&#246;           > 70 04 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024EE6780480, 16 bytes long.
 Data: < &#192;&#181;&#146;&#246;           > 18 C0 B5 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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