Task 38682557

Name test_687-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7624_0
Workunit 31624162
Created 27 Oct 2026, 8:12:33 UTC
Sent 27 Oct 2026, 8:12:41 UTC
Report deadline 1 Nov 2026, 8:12:41 UTC
Received 27 Oct 2026, 9:07:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 34 min 45 sec
CPU time 31 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.91 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:33:50 (19528): wrapper (7.9.26016): starting
09:33:50 (19528): 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
09:33:51 (19528): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:33:51 (19528): 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:\BoincData\slots\2\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:\BoincData\slots\2\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
10:06:49 (19528): C:/Windows/system32/cmd.exe exited; CPU time 1894.500000
10:06:49 (19528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 bytes in 8 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: 27825673 bytes.
Dumping objects ->
{3835268} normal block at 0x000001910C531090, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835257} normal block at 0x000001910C675FB0, 32 bytes long.
 Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835246} normal block at 0x000001910C675D10, 32 bytes long.
 Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835235} normal block at 0x000001910C675CB0, 32 bytes long.
 Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835224} normal block at 0x000001910C675F50, 32 bytes long.
 Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44 
{3835193} normal block at 0x000001910C530BC0, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835182} normal block at 0x000001910C63DB90, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835179} normal block at 0x000001910AA66E00, 8 bytes long.
 Data: <  > &#145;   > 00 00 3E 0C 91 01 00 00 
{3834558} normal block at 0x000001910C63D6C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001910AA66D60, 8 bytes long.
 Data: < &#168;&#165; &#145;   > 90 A8 A5 0A 91 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001910AA71430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001910AA55EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001910AA72AB0, 16 bytes long.
 Data: <(9&#167; &#145;           > 28 39 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001910AA72240, 16 bytes long.
 Data: < 9&#167; &#145;           > 00 39 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001910AA6D2A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001910AA72F60, 16 bytes long.
 Data: <&#216;8&#167; &#145;           > D8 38 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001910AA72920, 16 bytes long.
 Data: <&#176;8&#167; &#145;           > B0 38 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001910AA72C90, 16 bytes long.
 Data: < 8&#167; &#145;           > 88 38 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001910AA72790, 16 bytes long.
 Data: <`8&#167; &#145;           > 60 38 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001910AA6B5E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001910AA72560, 16 bytes long.
 Data: <X^&#165; &#145;           > 58 5E A5 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001910AA6CE20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001910AA72EC0, 16 bytes long.
 Data: <0^&#165; &#145;           > 30 5E A5 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001910AA73190, 16 bytes long.
 Data: < ^&#165; &#145;           > 08 5E A5 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001910AA72600, 16 bytes long.
 Data: <&#224;]&#165; &#145;           > E0 5D A5 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001910AA728D0, 16 bytes long.
 Data: <&#184;]&#165; &#145;           > B8 5D A5 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001910AA72970, 16 bytes long.
 Data: < ]&#165; &#145;           > 90 5D A5 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001910AA72D80, 16 bytes long.
 Data: <h]&#165; &#145;           > 68 5D A5 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001910AA6CE80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001910AA72B50, 16 bytes long.
 Data: <@]&#165; &#145;           > 40 5D A5 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001910AA55D40, 320 bytes long.
 Data: <P+&#167; &#145;    &#206;&#166; &#145;   > 50 2B A7 0A 91 01 00 00 80 CE A6 0A 91 01 00 00 
{271} normal block at 0x000001910AA73140, 16 bytes long.
 Data: <@8&#167; &#145;           > 40 38 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001910AA72E20, 16 bytes long.
 Data: < 8&#167; &#145;           > 18 38 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001910AA6D000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001910AA72F10, 16 bytes long.
 Data: <&#240;7&#167; &#145;           > F0 37 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001910AA6DA20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001910AA72510, 16 bytes long.
 Data: <87&#167; &#145;           > 38 37 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001910AA72E70, 16 bytes long.
 Data: < 7&#167; &#145;           > 10 37 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001910AA72740, 16 bytes long.
 Data: <&#232;6&#167; &#145;           > E8 36 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001910AA72D30, 16 bytes long.
 Data: <&#192;6&#167; &#145;           > C0 36 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001910AA73050, 16 bytes long.
 Data: < 6&#167; &#145;           > 98 36 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001910AA72DD0, 16 bytes long.
 Data: <p6&#167; &#145;           > 70 36 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001910AA730F0, 16 bytes long.
 Data: <&#160;&#183;&#166; &#145;           > A0 B7 A6 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001910AA6B7A0, 40 bytes long.
 Data: <&#240;0&#167; &#145;   &#192; S &#145;   > F0 30 A7 0A 91 01 00 00 C0 0B 53 0C 91 01 00 00 
{257} normal block at 0x000001910AA723D0, 16 bytes long.
 Data: <P6&#167; &#145;           > 50 36 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001910AA73000, 16 bytes long.
 Data: <(6&#167; &#145;           > 28 36 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001910AA6D8A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001910AA72CE0, 16 bytes long.
 Data: < 6&#167; &#145;           > 00 36 A7 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001910AA73600, 992 bytes long.
 Data: <&#224;,&#167; &#145;   &#160;&#216;&#166; &#145;   > E0 2C A7 0A 91 01 00 00 A0 D8 A6 0A 91 01 00 00 
{89} normal block at 0x000001910AA6D7E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001910AA672B0, 16 bytes long.
 Data: <p&#181;&#166; &#145;           > 70 B5 A6 0A 91 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001910AA6B570, 40 bytes long.
 Data: <&#176;r&#166; &#145;   &#224;&#215;&#166; &#145;   > B0 72 A6 0A 91 01 00 00 E0 D7 A6 0A 91 01 00 00 
{66} normal block at 0x000001910AA67080, 16 bytes long.
 Data: < &#234;x&#235;&#246;           > 80 EA 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001910AA66680, 16 bytes long.
 Data: <@&#233;x&#235;&#246;           > 40 E9 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001910AA67260, 16 bytes long.
 Data: <&#248;Wu&#235;&#246;           > F8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001910AA66810, 16 bytes long.
 Data: <&#216;Wu&#235;&#246;           > D8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001910AA66950, 16 bytes long.
 Data: <P u&#235;&#246;           > 50 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001910AA66770, 16 bytes long.
 Data: <0 u&#235;&#246;           > 30 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001910AA66720, 16 bytes long.
 Data: <&#224; u&#235;&#246;           > E0 02 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001910AA67490, 16 bytes long.
 Data: <  u&#235;&#246;           > 10 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001910AA66EA0, 16 bytes long.
 Data: <p u&#235;&#246;           > 70 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001910AA66590, 16 bytes long.
 Data: < &#192;s&#235;&#246;           > 18 C0 73 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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