Task 38675575

Name test_685-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8877_0
Workunit 31617539
Created 26 Oct 2026, 8:40:58 UTC
Sent 26 Oct 2026, 8:41:01 UTC
Report deadline 31 Oct 2026, 8:41:01 UTC
Received 26 Oct 2026, 9:28:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 46 min 13 sec
CPU time 44 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.52 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:42:17 (10244): wrapper (7.9.26016): starting
04:42:17 (10244): 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
04:42:31 (10244): Library/usr/bin/tar.exe exited; CPU time 0.109375
04:42:31 (10244): 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 'P:\BOINC\data\slots\5\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 'P:\BOINC\data\slots\5\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
05:28:02 (10244): C:/Windows/system32/cmd.exe exited; CPU time 2643.125000
05:28:02 (10244): 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: 36824217 bytes.
Dumping objects ->
{3835191} normal block at 0x0000021EA72D6FE0, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835180} normal block at 0x0000021EA8E25130, 32 bytes long.
 Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835169} normal block at 0x0000021EA8E25010, 32 bytes long.
 Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835158} normal block at 0x0000021EA8E250D0, 32 bytes long.
 Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835147} normal block at 0x0000021EA8E24FB0, 32 bytes long.
 Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C 
{3835116} normal block at 0x0000021EA72D76E0, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x0000021EA72A76E0, 8 bytes long.
 Data: <  (&#167;    > 00 00 28 A7 1E 02 00 00 
{3833953} normal block at 0x0000021EA72A7E10, 8 bytes long.
 Data: < *&#230;&#168;    > 10 2A E6 A8 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000021EA72B1000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021EA729AAA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000021EA72B21D0, 16 bytes long.
 Data: < G+&#167;            > 88 47 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021EA72B2E00, 16 bytes long.
 Data: <`G+&#167;            > 60 47 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021EA72ADA80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000021EA72B2590, 16 bytes long.
 Data: <8G+&#167;            > 38 47 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021EA72B2DB0, 16 bytes long.
 Data: < G+&#167;            > 10 47 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021EA72B22C0, 16 bytes long.
 Data: <&#232;F+&#167;            > E8 46 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021EA72B2180, 16 bytes long.
 Data: <&#192;F+&#167;            > C0 46 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021EA72AC380, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000021EA72B2130, 16 bytes long.
 Data: < &#210;*&#167;            > 88 D2 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021EA72ADDE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000021EA72B2D60, 16 bytes long.
 Data: <`&#210;*&#167;            > 60 D2 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021EA72B2950, 16 bytes long.
 Data: <8&#210;*&#167;            > 38 D2 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021EA72B2270, 16 bytes long.
 Data: < &#210;*&#167;            > 10 D2 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021EA72B2400, 16 bytes long.
 Data: <&#232;&#209;*&#167;            > E8 D1 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021EA72B2C70, 16 bytes long.
 Data: <&#192;&#209;*&#167;            > C0 D1 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021EA72B20E0, 16 bytes long.
 Data: < &#209;*&#167;            > 98 D1 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021EA72AE320, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000021EA72B2090, 16 bytes long.
 Data: <p&#209;*&#167;            > 70 D1 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021EA72AD170, 320 bytes long.
 Data: <  +&#167;     &#227;*&#167;    > 90 20 2B A7 1E 02 00 00 20 E3 2A A7 1E 02 00 00 
{272} normal block at 0x0000021EA72B2CC0, 16 bytes long.
 Data: <&#160;F+&#167;            > A0 46 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021EA72B2B80, 16 bytes long.
 Data: <xF+&#167;            > 78 46 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021EA72AE560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000021EA72B2EA0, 16 bytes long.
 Data: <PF+&#167;            > 50 46 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021EA72ADF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000021EA72B2AE0, 16 bytes long.
 Data: < E+&#167;            > 98 45 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021EA72B2D10, 16 bytes long.
 Data: <pE+&#167;            > 70 45 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021EA72B28B0, 16 bytes long.
 Data: <HE+&#167;            > 48 45 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021EA72B2F90, 16 bytes long.
 Data: < E+&#167;            > 20 45 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021EA72B29F0, 16 bytes long.
 Data: <&#248;D+&#167;            > F8 44 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021EA72B23B0, 16 bytes long.
 Data: <&#208;D+&#167;            > D0 44 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021EA72B2860, 16 bytes long.
 Data: <`&#196;*&#167;            > 60 C4 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021EA72AC460, 40 bytes long.
 Data: <`(+&#167;    &#224;v-&#167;    > 60 28 2B A7 1E 02 00 00 E0 76 2D A7 1E 02 00 00 
{258} normal block at 0x0000021EA72B2770, 16 bytes long.
 Data: <&#176;D+&#167;            > B0 44 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021EA72B2720, 16 bytes long.
 Data: < D+&#167;            > 88 44 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021EA72ADA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000021EA72B2220, 16 bytes long.
 Data: <`D+&#167;            > 60 44 2B A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021EA72B4460, 992 bytes long.
 Data: < "+&#167;     &#218;*&#167;    > 20 22 2B A7 1E 02 00 00 20 DA 2A A7 1E 02 00 00 
{90} normal block at 0x0000021EA72AD960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000021EA72A74B0, 16 bytes long.
 Data: <P&#193;*&#167;            > 50 C1 2A A7 1E 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000021EA72AC150, 40 bytes long.
 Data: <&#176;t*&#167;    `&#217;*&#167;    > B0 74 2A A7 1E 02 00 00 60 D9 2A A7 1E 02 00 00 
{67} normal block at 0x0000021EA72A8180, 16 bytes long.
 Data: < &#234;[&#255;&#247;           > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021EA72A7820, 16 bytes long.
 Data: <@&#233;[&#255;&#247;           > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021EA72A7B40, 16 bytes long.
 Data: <&#248;WX&#255;&#247;           > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021EA72A7640, 16 bytes long.
 Data: <&#216;WX&#255;&#247;           > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021EA72A80E0, 16 bytes long.
 Data: <P X&#255;&#247;           > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021EA72A7500, 16 bytes long.
 Data: <0 X&#255;&#247;           > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021EA72A75A0, 16 bytes long.
 Data: <&#224; X&#255;&#247;           > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021EA72A7F50, 16 bytes long.
 Data: <  X&#255;&#247;           > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021EA72A8090, 16 bytes long.
 Data: <p X&#255;&#247;           > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021EA72A8130, 16 bytes long.
 Data: < &#192;V&#255;&#247;           > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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