Task 38679479

Name test_498-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3850_0
Workunit 31621252
Created 26 Oct 2026, 20:42:44 UTC
Sent 26 Oct 2026, 20:42:53 UTC
Report deadline 31 Oct 2026, 20:42:53 UTC
Received 26 Oct 2026, 22:58:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 33 min 3 sec
CPU time 33 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.45 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:26:52 (43072): wrapper (7.9.26016): starting
15:26:52 (43072): 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
15:26:54 (43072): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:26:54 (43072): 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\4\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\4\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
15:57:22 (43072): C:/Windows/system32/cmd.exe exited; CPU time 1983.796875
15:57:22 (43072): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 31089085 bytes.
Dumping objects ->
{3835233} normal block at 0x00000219E2C91090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x00000219E2C913A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000219E2C90920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x00000219E2C91640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000219E2C90BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x00000219E2D85220, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x00000219E2D9D1E0, 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) : {3835144} normal block at 0x00000219E1137A90, 8 bytes long.
 Data: <   &#225;    > 00 00 11 E1 19 02 00 00 
{3834540} normal block at 0x00000219E2D9D130, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000219E1137FE0, 8 bytes long.
 Data: < 1&#222;&#226;    > 80 31 DE E2 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000219E11419D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000219E112AC70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000219E1143910, 16 bytes long.
 Data: <XM &#225;            > 58 4D 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000219E11438C0, 16 bytes long.
 Data: <0M &#225;            > 30 4D 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000219E113DBE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000219E1142E20, 16 bytes long.
 Data: < M &#225;            > 08 4D 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000219E1143820, 16 bytes long.
 Data: <&#224;L &#225;            > E0 4C 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000219E1143780, 16 bytes long.
 Data: <&#184;L &#225;            > B8 4C 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000219E1143140, 16 bytes long.
 Data: < L &#225;            > 90 4C 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000219E113C210, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000219E1143690, 16 bytes long.
 Data: <X&#207; &#225;            > 58 CF 12 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000219E113DCA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000219E1142C40, 16 bytes long.
 Data: <0&#207; &#225;            > 30 CF 12 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000219E1143870, 16 bytes long.
 Data: < &#207; &#225;            > 08 CF 12 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000219E1143640, 16 bytes long.
 Data: <&#224;&#206; &#225;            > E0 CE 12 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000219E11435F0, 16 bytes long.
 Data: <&#184;&#206; &#225;            > B8 CE 12 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000219E11439B0, 16 bytes long.
 Data: < &#206; &#225;            > 90 CE 12 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000219E1143320, 16 bytes long.
 Data: <h&#206; &#225;            > 68 CE 12 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000219E113E0C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000219E1142E70, 16 bytes long.
 Data: <@&#206; &#225;            > 40 CE 12 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000219E112CE40, 320 bytes long.
 Data: <p. &#225;    &#192;&#224; &#225;    > 70 2E 14 E1 19 02 00 00 C0 E0 13 E1 19 02 00 00 
{275} normal block at 0x00000219E11430F0, 16 bytes long.
 Data: <pL &#225;            > 70 4C 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000219E1142FB0, 16 bytes long.
 Data: <HL &#225;            > 48 4C 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000219E113E720, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000219E1142B50, 16 bytes long.
 Data: < L &#225;            > 20 4C 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000219E113DD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000219E11430A0, 16 bytes long.
 Data: <hK &#225;            > 68 4B 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000219E11434B0, 16 bytes long.
 Data: <@K &#225;            > 40 4B 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000219E1143730, 16 bytes long.
 Data: < K &#225;            > 18 4B 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000219E1143460, 16 bytes long.
 Data: <&#240;J &#225;            > F0 4A 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000219E1142D30, 16 bytes long.
 Data: <&#200;J &#225;            > C8 4A 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000219E1143050, 16 bytes long.
 Data: <&#160;J &#225;            > A0 4A 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000219E1143410, 16 bytes long.
 Data: < &#197; &#225;            > 90 C5 13 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000219E113C590, 40 bytes long.
 Data: < 4 &#225;     R&#216;&#226;    > 10 34 14 E1 19 02 00 00 20 52 D8 E2 19 02 00 00 
{261} normal block at 0x00000219E1142BA0, 16 bytes long.
 Data: < J &#225;            > 80 4A 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000219E11432D0, 16 bytes long.
 Data: <XJ &#225;            > 58 4A 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000219E113DFA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000219E1142CE0, 16 bytes long.
 Data: <0J &#225;            > 30 4A 14 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000219E1144A30, 992 bytes long.
 Data: <&#224;, &#225;    &#160;&#223; &#225;    > E0 2C 14 E1 19 02 00 00 A0 DF 13 E1 19 02 00 00 
{93} normal block at 0x00000219E113E180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000219E1138260, 16 bytes long.
 Data: <P&#199; &#225;            > 50 C7 13 E1 19 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000219E113C750, 40 bytes long.
 Data: <`&#130; &#225;     &#225; &#225;    > 60 82 13 E1 19 02 00 00 80 E1 13 E1 19 02 00 00 
{70} normal block at 0x00000219E11374A0, 16 bytes long.
 Data: < &#234;)&#210;&#247;           > 80 EA 29 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000219E1137950, 16 bytes long.
 Data: <@&#233;)&#210;&#247;           > 40 E9 29 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000219E1137C20, 16 bytes long.
 Data: <&#248;W&&#210;&#247;           > F8 57 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000219E11375E0, 16 bytes long.
 Data: <&#216;W&&#210;&#247;           > D8 57 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000219E11378B0, 16 bytes long.
 Data: <P &&#210;&#247;           > 50 04 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219E1137E00, 16 bytes long.
 Data: <0 &&#210;&#247;           > 30 04 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000219E11377C0, 16 bytes long.
 Data: <&#224; &&#210;&#247;           > E0 02 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000219E1137D10, 16 bytes long.
 Data: <  &&#210;&#247;           > 10 04 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000219E1137CC0, 16 bytes long.
 Data: <p &&#210;&#247;           > 70 04 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000219E1137540, 16 bytes long.
 Data: < &#192;$&#210;&#247;           > 18 C0 24 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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