Task 38679631

Name test_856-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1298_0
Workunit 31621399
Created 26 Oct 2026, 21:12:07 UTC
Sent 26 Oct 2026, 21:12:13 UTC
Report deadline 31 Oct 2026, 21:12:13 UTC
Received 26 Oct 2026, 22:27:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 25 min 2 sec
CPU time 21 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.04 MB
Peak swap size 10.00 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:03:53 (9924): wrapper (7.9.26016): starting
23:03:53 (9924): 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
23:03:54 (9924): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:03:54 (9924): 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\1\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\1\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
23:27:21 (9924): C:/Windows/system32/cmd.exe exited; CPU time 1319.906250
23:27:21 (9924): 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: 28671607 bytes.
Dumping objects ->
{3835202} normal block at 0x00000153D4B7D5E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x00000153D4B7D340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x00000153D4B7D960, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x00000153D4B7CFC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x00000153D2EB4F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x00000153D4BCAE10, 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) : {3835114} normal block at 0x00000153D2EAF540, 8 bytes long.
 Data: <  )&#211;S   > 00 00 29 D3 53 01 00 00 
{3833965} normal block at 0x00000153D2EAF450, 8 bytes long.
 Data: < >&#194;&#212;S   > 10 3E C2 D4 53 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000153D2EB1860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000153D2EA69B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000153D2EB5C40, 16 bytes long.
 Data: <&#248;Z&#235;&#210;S           > F8 5A EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000153D2EB61E0, 16 bytes long.
 Data: <&#208;Z&#235;&#210;S           > D0 5A EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000153D2EADDB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000153D2EB5FB0, 16 bytes long.
 Data: <&#168;Z&#235;&#210;S           > A8 5A EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000153D2EB6140, 16 bytes long.
 Data: < Z&#235;&#210;S           > 80 5A EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000153D2EB68C0, 16 bytes long.
 Data: <XZ&#235;&#210;S           > 58 5A EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000153D2EB6B40, 16 bytes long.
 Data: <0Z&#235;&#210;S           > 30 5A EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000153D2EB49E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000153D2EB6190, 16 bytes long.
 Data: <&#168;&#245;&#233;&#210;S           > A8 F5 E9 D2 53 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000153D2EADD50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000153D2EB65F0, 16 bytes long.
 Data: < &#245;&#233;&#210;S           > 80 F5 E9 D2 53 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000153D2EB5E20, 16 bytes long.
 Data: <X&#245;&#233;&#210;S           > 58 F5 E9 D2 53 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000153D2EB6550, 16 bytes long.
 Data: <0&#245;&#233;&#210;S           > 30 F5 E9 D2 53 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000153D2EB69B0, 16 bytes long.
 Data: < &#245;&#233;&#210;S           > 08 F5 E9 D2 53 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000153D2EB62D0, 16 bytes long.
 Data: <&#224;&#244;&#233;&#210;S           > E0 F4 E9 D2 53 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000153D2EB6B90, 16 bytes long.
 Data: <&#184;&#244;&#233;&#210;S           > B8 F4 E9 D2 53 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000153D2EADB70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000153D2EB6500, 16 bytes long.
 Data: < &#244;&#233;&#210;S           > 90 F4 E9 D2 53 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000153D2E9F490, 320 bytes long.
 Data: < e&#235;&#210;S   p&#219;&#234;&#210;S   > 00 65 EB D2 53 01 00 00 70 DB EA D2 53 01 00 00 
{278} normal block at 0x00000153D2EB63C0, 16 bytes long.
 Data: < Z&#235;&#210;S           > 10 5A EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000153D2EB5D30, 16 bytes long.
 Data: <&#232;Y&#235;&#210;S           > E8 59 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000153D2EAD6F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000153D2EB6AF0, 16 bytes long.
 Data: <&#192;Y&#235;&#210;S           > C0 59 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000153D2EAD930, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000153D2EB6910, 16 bytes long.
 Data: < Y&#235;&#210;S           > 08 59 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000153D2EB6460, 16 bytes long.
 Data: <&#224;X&#235;&#210;S           > E0 58 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000153D2EB65A0, 16 bytes long.
 Data: <&#184;X&#235;&#210;S           > B8 58 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000153D2EB6000, 16 bytes long.
 Data: < X&#235;&#210;S           > 90 58 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000153D2EB5D80, 16 bytes long.
 Data: <hX&#235;&#210;S           > 68 58 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000153D2EAFB30, 16 bytes long.
 Data: <@X&#235;&#210;S           > 40 58 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000153D2EAF720, 16 bytes long.
 Data: <`M&#235;&#210;S           > 60 4D EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000153D2EB4D60, 40 bytes long.
 Data: < &#247;&#234;&#210;S    &#174;&#188;&#212;S   > 20 F7 EA D2 53 01 00 00 10 AE BC D4 53 01 00 00 
{264} normal block at 0x00000153D2EAF180, 16 bytes long.
 Data: < X&#235;&#210;S           > 20 58 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000153D2EAF0E0, 16 bytes long.
 Data: <&#248;W&#235;&#210;S           > F8 57 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000153D2EADE70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000153D2EAF950, 16 bytes long.
 Data: <&#208;W&#235;&#210;S           > D0 57 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000153D2EB57D0, 992 bytes long.
 Data: <P&#249;&#234;&#210;S   p&#222;&#234;&#210;S   > 50 F9 EA D2 53 01 00 00 70 DE EA D2 53 01 00 00 
{96} normal block at 0x00000153D2EADCF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000153D2EAF4F0, 16 bytes long.
 Data: < P&#235;&#210;S           > 00 50 EB D2 53 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000153D2EB5000, 40 bytes long.
 Data: <&#240;&#244;&#234;&#210;S   &#240;&#220;&#234;&#210;S   > F0 F4 EA D2 53 01 00 00 F0 DC EA D2 53 01 00 00 
{73} normal block at 0x00000153D2EAF9A0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000153D2EAF3B0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000153D2EAF130, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000153D2EAF4A0, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000153D2EAFD60, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000153D2EAFB80, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000153D2EAFC20, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000153D2EAFAE0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000153D2EAFD10, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000153D2EAEFA0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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