Task 38687277

Name test_534-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9413_0
Workunit 31628671
Created 28 Oct 2026, 6:54:34 UTC
Sent 28 Oct 2026, 6:54:37 UTC
Report deadline 2 Nov 2026, 6:54:37 UTC
Received 28 Oct 2026, 7:51:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 27 min 46 sec
CPU time 24 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 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 5.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:23:57 (3824): wrapper (7.9.26016): starting
08:23:57 (3824): 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
08:23:59 (3824): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:23:59 (3824): 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:\Boinc\slots\13\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:\Boinc\slots\13\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
08:50:57 (3824): C:/Windows/system32/cmd.exe exited; CPU time 1490.312500
08:50:57 (3824): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 32849387 bytes.
Dumping objects ->
{3835502} normal block at 0x00000126324F8B40, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835491} normal block at 0x00000126340F1B10, 32 bytes long.
 Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835480} normal block at 0x00000126340F11B0, 32 bytes long.
 Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835469} normal block at 0x00000126340F0850, 32 bytes long.
 Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835458} normal block at 0x00000126340F06D0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835427} normal block at 0x00000126324F89F0, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x00000126324CD8A0, 8 bytes long.
 Data: <  C2&   > 00 00 43 32 26 01 00 00 
{3833969} normal block at 0x00000126324CD850, 8 bytes long.
 Data: <&#224;&#189;O2&   > E0 BD 4F 32 26 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000126324D1820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000126324C5B90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000126324D5E60, 16 bytes long.
 Data: <&#232;bM2&           > E8 62 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000126324D5820, 16 bytes long.
 Data: <&#192;bM2&           > C0 62 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000126324CF280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000126324D5730, 16 bytes long.
 Data: < bM2&           > 98 62 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000126324D5910, 16 bytes long.
 Data: <pbM2&           > 70 62 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000126324D5640, 16 bytes long.
 Data: <HbM2&           > 48 62 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000126324D5960, 16 bytes long.
 Data: < bM2&           > 20 62 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000126324CFA00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000126324D55A0, 16 bytes long.
 Data: <(&#246;K2&           > 28 F6 4B 32 26 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000126324CE740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000126324D5500, 16 bytes long.
 Data: < &#246;K2&           > 00 F6 4B 32 26 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000126324D5460, 16 bytes long.
 Data: <&#216;&#245;K2&           > D8 F5 4B 32 26 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000126324D54B0, 16 bytes long.
 Data: <&#176;&#245;K2&           > B0 F5 4B 32 26 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000126324D57D0, 16 bytes long.
 Data: < &#245;K2&           > 88 F5 4B 32 26 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000126324D5550, 16 bytes long.
 Data: <`&#245;K2&           > 60 F5 4B 32 26 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000126324D5690, 16 bytes long.
 Data: <8&#245;K2&           > 38 F5 4B 32 26 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000126324CF340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000126324D5410, 16 bytes long.
 Data: < &#245;K2&           > 10 F5 4B 32 26 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000126324BF510, 320 bytes long.
 Data: < TM2&   @&#243;L2&   > 10 54 4D 32 26 01 00 00 40 F3 4C 32 26 01 00 00 
{280} normal block at 0x00000126324D56E0, 16 bytes long.
 Data: < bM2&           > 00 62 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000126324D5CD0, 16 bytes long.
 Data: <&#216;aM2&           > D8 61 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000126324CECE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000126324D5370, 16 bytes long.
 Data: <&#176;aM2&           > B0 61 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000126324CEEC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000126324D55F0, 16 bytes long.
 Data: <&#248;`M2&           > F8 60 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000126324D5C80, 16 bytes long.
 Data: <&#208;`M2&           > D0 60 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000126324D5B90, 16 bytes long.
 Data: <&#168;`M2&           > A8 60 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000126324D5000, 16 bytes long.
 Data: < `M2&           > 80 60 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000126324D5D20, 16 bytes long.
 Data: <X`M2&           > 58 60 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000126324D53C0, 16 bytes long.
 Data: <0`M2&           > 30 60 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000126324D5320, 16 bytes long.
 Data: < &#246;L2&           > 10 F6 4C 32 26 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000126324CF610, 40 bytes long.
 Data: < SM2&   &#240;&#137;O2&   > 20 53 4D 32 26 01 00 00 F0 89 4F 32 26 01 00 00 
{266} normal block at 0x00000126324D5780, 16 bytes long.
 Data: < `M2&           > 10 60 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000126324D5A00, 16 bytes long.
 Data: <&#232;_M2&           > E8 5F 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000126324CE920, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000126324D5050, 16 bytes long.
 Data: <&#192;_M2&           > C0 5F 4D 32 26 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000126324D5FC0, 992 bytes long.
 Data: <PPM2&    &#233;L2&   > 50 50 4D 32 26 01 00 00 20 E9 4C 32 26 01 00 00 
{98} normal block at 0x00000126324CE8C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000126324CD210, 16 bytes long.
 Data: < &#249;L2&           > 20 F9 4C 32 26 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000126324CF920, 40 bytes long.
 Data: < &#210;L2&   &#192;&#232;L2&   > 10 D2 4C 32 26 01 00 00 C0 E8 4C 32 26 01 00 00 
{75} normal block at 0x00000126324CD7B0, 16 bytes long.
 Data: < &#234;&#226;&#149;&#247;           > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000126324CD300, 16 bytes long.
 Data: <@&#233;&#226;&#149;&#247;           > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000126324CCE00, 16 bytes long.
 Data: <&#248;W&#223;&#149;&#247;           > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000126324CD4E0, 16 bytes long.
 Data: <&#216;W&#223;&#149;&#247;           > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000126324CD620, 16 bytes long.
 Data: <P &#223;&#149;&#247;           > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000126324CD800, 16 bytes long.
 Data: <0 &#223;&#149;&#247;           > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000126324CCF40, 16 bytes long.
 Data: <&#224; &#223;&#149;&#247;           > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000126324CD170, 16 bytes long.
 Data: <  &#223;&#149;&#247;           > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000126324CD670, 16 bytes long.
 Data: <p &#223;&#149;&#247;           > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000126324CD5D0, 16 bytes long.
 Data: < &#192;&#221;&#149;&#247;           > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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