Task 38671298

Name test_303-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6476_0
Workunit 31613508
Created 25 Oct 2026, 20:06:20 UTC
Sent 25 Oct 2026, 20:06:25 UTC
Report deadline 30 Oct 2026, 20:06:25 UTC
Received 25 Oct 2026, 20:44:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 18 sec
CPU time 14 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.29 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:29:34 (35140): wrapper (7.9.26016): starting
16:29:34 (35140): 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
16:29:35 (35140): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:29:35 (35140): 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
16:44:13 (35140): C:/Windows/system32/cmd.exe exited; CPU time 880.390625
16:44:13 (35140): 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: 21149815 bytes.
Dumping objects ->
{3835501} normal block at 0x000001CD2F3D23C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001CD2F3D2350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000001CD2F3D2430, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x000001CD2F3D2970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001CD2F3D2A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x000001CD3118AB10, 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) : {3835413} normal block at 0x000001CD2F3CC600, 8 bytes long.
 Data: <   /&#205;   > 00 00 88 2F CD 01 00 00 
{3833939} normal block at 0x000001CD2F3CCBA0, 8 bytes long.
 Data: <0K 1&#205;   > 30 4B 15 31 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001CD2F3CD5C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CD2F3C5B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001CD2F3D3CF0, 16 bytes long.
 Data: <8.=/&#205;           > 38 2E 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CD2F3D3930, 16 bytes long.
 Data: < .=/&#205;           > 10 2E 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CD2F3D1940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001CD2F3D3660, 16 bytes long.
 Data: <&#232;-=/&#205;           > E8 2D 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CD2F3D3E30, 16 bytes long.
 Data: <&#192;-=/&#205;           > C0 2D 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CD2F3D3700, 16 bytes long.
 Data: < -=/&#205;           > 98 2D 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CD2F3D37F0, 16 bytes long.
 Data: <p-=/&#205;           > 70 2D 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CD2F3D2580, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001CD2F3D3200, 16 bytes long.
 Data: < &#229;;/&#205;           > 88 E5 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CD2F3D1CA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001CD2F3D37A0, 16 bytes long.
 Data: <`&#229;;/&#205;           > 60 E5 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CD2F3D3D90, 16 bytes long.
 Data: <8&#229;;/&#205;           > 38 E5 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CD2F3D3250, 16 bytes long.
 Data: < &#229;;/&#205;           > 10 E5 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CD2F3D3110, 16 bytes long.
 Data: <&#232;&#228;;/&#205;           > E8 E4 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CD2F3D3A70, 16 bytes long.
 Data: <&#192;&#228;;/&#205;           > C0 E4 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CD2F3D3570, 16 bytes long.
 Data: < &#228;;/&#205;           > 98 E4 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CD2F3D1A00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001CD2F3D3C00, 16 bytes long.
 Data: <p&#228;;/&#205;           > 70 E4 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CD2F3BE470, 320 bytes long.
 Data: < <=/&#205;     =/&#205;   > 00 3C 3D 2F CD 01 00 00 00 1A 3D 2F CD 01 00 00 
{265} normal block at 0x000001CD2F3D3610, 16 bytes long.
 Data: <P-=/&#205;           > 50 2D 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CD2F3D3ED0, 16 bytes long.
 Data: <(-=/&#205;           > 28 2D 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CD2F3D1760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001CD2F3D3AC0, 16 bytes long.
 Data: < -=/&#205;           > 00 2D 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CD2F3D21E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001CD2F3D32A0, 16 bytes long.
 Data: <H,=/&#205;           > 48 2C 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CD2F3D3890, 16 bytes long.
 Data: < ,=/&#205;           > 20 2C 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CD2F3D3520, 16 bytes long.
 Data: <&#248;+=/&#205;           > F8 2B 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CD2F3D3390, 16 bytes long.
 Data: <&#208;+=/&#205;           > D0 2B 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CD2F3CD0F0, 16 bytes long.
 Data: <&#168;+=/&#205;           > A8 2B 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CD2F3CCFB0, 16 bytes long.
 Data: < +=/&#205;           > 80 2B 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CD2F3CCF10, 16 bytes long.
 Data: < %=/&#205;           > 10 25 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001CD2F3D2510, 40 bytes long.
 Data: < &#207;</&#205;    &#171; 1&#205;   > 10 CF 3C 2F CD 01 00 00 10 AB 18 31 CD 01 00 00 
{251} normal block at 0x000001CD2F3CCB50, 16 bytes long.
 Data: <`+=/&#205;           > 60 2B 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001CD2F3CC5B0, 16 bytes long.
 Data: <8+=/&#205;           > 38 2B 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001CD2F3D1D00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001CD2F3CCEC0, 16 bytes long.
 Data: < +=/&#205;           > 10 2B 3D 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001CD2F3D2B10, 992 bytes long.
 Data: <&#192;&#206;</&#205;     =/&#205;   > C0 CE 3C 2F CD 01 00 00 00 1D 3D 2F CD 01 00 00 
{83} normal block at 0x000001CD2F3D1460, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001CD2F3CCDD0, 16 bytes long.
 Data: <&#224;&#195;;/&#205;           > E0 C3 3B 2F CD 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001CD2F3BC3E0, 40 bytes long.
 Data: <&#208;&#205;</&#205;   ` =/&#205;   > D0 CD 3C 2F CD 01 00 00 60 14 3D 2F CD 01 00 00 
{60} normal block at 0x000001CD2F3CCD80, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CD2F3CCCE0, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CD2F3CC6F0, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CD2F3CCB00, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001CD2F3CC830, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001CD2F3CCA10, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001CD2F3CC6A0, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001CD2F3CC9C0, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001CD2F3CC330, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001CD2F3CCC40, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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