Task 38687623

Name test_230-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8756_0
Workunit 31629007
Created 28 Oct 2026, 8:49:25 UTC
Sent 28 Oct 2026, 8:49:27 UTC
Report deadline 2 Nov 2026, 8:49:27 UTC
Received 28 Oct 2026, 10:42:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 28 min 6 sec
CPU time 24 min 46 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 739.94 MB
Peak swap size 5.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:14:43 (28420): wrapper (7.9.26016): starting
11:14:43 (28420): 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
11:14:45 (28420): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:14:45 (28420): 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
11:41:36 (28420): C:/Windows/system32/cmd.exe exited; CPU time 1486.750000
11:41:36 (28420): 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: 32837911 bytes.
Dumping objects ->
{3835502} normal block at 0x0000024138669010, 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 0x000002413A1B0910, 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 0x000002413A1B09D0, 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 0x000002413A1B1510, 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 0x000002413A1B1690, 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 0x0000024138668D70, 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 0x000002413863D2B0, 8 bytes long.
 Data: <  (:A   > 00 00 28 3A 41 02 00 00 
{3833969} normal block at 0x000002413863CA40, 8 bytes long.
 Data: <&#224;&#189;f8A   > E0 BD 66 38 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000024138641960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000241386359E0, 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 0x00000241386453C0, 16 bytes long.
 Data: <&#232;bd8A           > E8 62 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024138645EB0, 16 bytes long.
 Data: <&#192;bd8A           > C0 62 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002413863E860, 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 0x0000024138645230, 16 bytes long.
 Data: < bd8A           > 98 62 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024138645DC0, 16 bytes long.
 Data: <pbd8A           > 70 62 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024138645870, 16 bytes long.
 Data: <Hbd8A           > 48 62 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024138645820, 16 bytes long.
 Data: < bd8A           > 20 62 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002413863FAE0, 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 0x0000024138645F50, 16 bytes long.
 Data: <(&#246;b8A           > 28 F6 62 38 41 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002413863E5C0, 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 0x0000024138645780, 16 bytes long.
 Data: < &#246;b8A           > 00 F6 62 38 41 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024138645050, 16 bytes long.
 Data: <&#216;&#245;b8A           > D8 F5 62 38 41 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000241386451E0, 16 bytes long.
 Data: <&#176;&#245;b8A           > B0 F5 62 38 41 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024138645550, 16 bytes long.
 Data: < &#245;b8A           > 88 F5 62 38 41 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024138645190, 16 bytes long.
 Data: <`&#245;b8A           > 60 F5 62 38 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024138645370, 16 bytes long.
 Data: <8&#245;b8A           > 38 F5 62 38 41 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002413863E800, 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 0x00000241386455A0, 16 bytes long.
 Data: < &#245;b8A           > 10 F5 62 38 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002413862F510, 320 bytes long.
 Data: <&#160;Ud8A    &#232;c8A   > A0 55 64 38 41 02 00 00 00 E8 63 38 41 02 00 00 
{280} normal block at 0x0000024138645730, 16 bytes long.
 Data: < bd8A           > 00 62 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000241386458C0, 16 bytes long.
 Data: <&#216;ad8A           > D8 61 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002413863ED40, 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 0x00000241386457D0, 16 bytes long.
 Data: <&#176;ad8A           > B0 61 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002413863E8C0, 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 0x0000024138645D70, 16 bytes long.
 Data: <&#248;`d8A           > F8 60 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024138645C30, 16 bytes long.
 Data: <&#208;`d8A           > D0 60 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024138645E60, 16 bytes long.
 Data: <&#168;`d8A           > A8 60 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000241386450A0, 16 bytes long.
 Data: < `d8A           > 80 60 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000241386455F0, 16 bytes long.
 Data: <X`d8A           > 58 60 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024138645500, 16 bytes long.
 Data: <0`d8A           > 30 60 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024138645140, 16 bytes long.
 Data: <&#240;&#246;c8A           > F0 F6 63 38 41 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002413863F6F0, 40 bytes long.
 Data: <@Qd8A   p f8A   > 40 51 64 38 41 02 00 00 70 8D 66 38 41 02 00 00 
{266} normal block at 0x0000024138645280, 16 bytes long.
 Data: < `d8A           > 10 60 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024138645F00, 16 bytes long.
 Data: <&#232;_d8A           > E8 5F 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002413863E7A0, 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 0x00000241386450F0, 16 bytes long.
 Data: <&#192;_d8A           > C0 5F 64 38 41 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024138645FC0, 992 bytes long.
 Data: <&#240;Pd8A   &#160;&#231;c8A   > F0 50 64 38 41 02 00 00 A0 E7 63 38 41 02 00 00 
{98} normal block at 0x000002413863E440, 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 0x000002413863D990, 16 bytes long.
 Data: <0&#245;c8A           > 30 F5 63 38 41 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002413863F530, 40 bytes long.
 Data: < &#217;c8A   @&#228;c8A   > 90 D9 63 38 41 02 00 00 40 E4 63 38 41 02 00 00 
{75} normal block at 0x000002413863D030, 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 0x000002413863D8F0, 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 0x000002413863D710, 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 0x000002413863D6C0, 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 0x000002413863D670, 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 0x000002413863CB30, 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 0x000002413863D3F0, 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 0x000002413863D0D0, 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 0x000002413863D620, 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 0x000002413863CAE0, 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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