Task 38667152

Name test_994-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3622_0
Workunit 31609823
Created 25 Oct 2026, 6:34:38 UTC
Sent 25 Oct 2026, 6:35:17 UTC
Report deadline 30 Oct 2026, 6:35:17 UTC
Received 25 Oct 2026, 8:56:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 47 min 13 sec
CPU time 43 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 814.63 MB
Peak swap size 9.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:10:31 (41768): wrapper (7.9.26016): starting
01:10:31 (41768): 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
01:10:33 (41768): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:10:33 (41768): 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\0\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\0\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
01:55:45 (41768): C:/Windows/system32/cmd.exe exited; CPU time 2589.640625
01:55:45 (41768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 89909961 bytes.
Dumping objects ->
{3835516} normal block at 0x00000217D54A8FA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x00000217D54A8590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x00000217D54A9080, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x00000217D3685660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000217D36854A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x00000217D54582C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835428} normal block at 0x00000217D367DC30, 8 bytes long.
 Data: <  &#181;&#211;    > 00 00 B5 D3 17 02 00 00 
{3833971} normal block at 0x00000217D367DAA0, 8 bytes long.
 Data: <&#160;uJ&#213;    > A0 75 4A D5 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000217D367F5E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000217D366DD50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000217D3686310, 16 bytes long.
 Data: <(sh&#211;            > 28 73 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000217D36869A0, 16 bytes long.
 Data: < sh&#211;            > 00 73 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000217D3680CB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000217D3686D10, 16 bytes long.
 Data: <&#216;rh&#211;            > D8 72 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000217D3686950, 16 bytes long.
 Data: <&#176;rh&#211;            > B0 72 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000217D3686720, 16 bytes long.
 Data: < rh&#211;            > 88 72 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000217D3686270, 16 bytes long.
 Data: <`rh&#211;            > 60 72 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000217D3685740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000217D36860E0, 16 bytes long.
 Data: <&#184;	g&#211;            > B8 09 67 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000217D3680C50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000217D36861D0, 16 bytes long.
 Data: < 	g&#211;            > 90 09 67 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000217D3686090, 16 bytes long.
 Data: <h	g&#211;            > 68 09 67 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000217D3686C70, 16 bytes long.
 Data: <@	g&#211;            > 40 09 67 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000217D3686130, 16 bytes long.
 Data: < 	g&#211;            > 18 09 67 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000217D3686400, 16 bytes long.
 Data: <&#240; g&#211;            > F0 08 67 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000217D3686860, 16 bytes long.
 Data: <&#200; g&#211;            > C8 08 67 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000217D36809B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000217D3686EA0, 16 bytes long.
 Data: <&#160; g&#211;            > A0 08 67 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000217D36708A0, 320 bytes long.
 Data: <&#160;nh&#211;    &#176;	h&#211;    > A0 6E 68 D3 17 02 00 00 B0 09 68 D3 17 02 00 00 
{281} normal block at 0x00000217D3686A90, 16 bytes long.
 Data: <@rh&#211;            > 40 72 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000217D3686810, 16 bytes long.
 Data: < rh&#211;            > 18 72 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000217D3680470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000217D36863B0, 16 bytes long.
 Data: <&#240;qh&#211;            > F0 71 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000217D3680950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000217D3686DB0, 16 bytes long.
 Data: <8qh&#211;            > 38 71 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000217D3686E50, 16 bytes long.
 Data: < qh&#211;            > 10 71 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000217D3686630, 16 bytes long.
 Data: <&#232;ph&#211;            > E8 70 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000217D3686180, 16 bytes long.
 Data: <&#192;ph&#211;            > C0 70 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000217D36862C0, 16 bytes long.
 Data: < ph&#211;            > 98 70 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000217D36866D0, 16 bytes long.
 Data: <pph&#211;            > 70 70 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000217D3686CC0, 16 bytes long.
 Data: < Xh&#211;            > 90 58 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000217D3685890, 40 bytes long.
 Data: <&#192;lh&#211;    &#192;&#130;E&#213;    > C0 6C 68 D3 17 02 00 00 C0 82 45 D5 17 02 00 00 
{267} normal block at 0x00000217D3686040, 16 bytes long.
 Data: <Pph&#211;            > 50 70 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000217D3686C20, 16 bytes long.
 Data: <(ph&#211;            > 28 70 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000217D3680890, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000217D3686F90, 16 bytes long.
 Data: < ph&#211;            > 00 70 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000217D3687000, 992 bytes long.
 Data: < oh&#211;      h&#211;    > 90 6F 68 D3 17 02 00 00 90 08 68 D3 17 02 00 00 
{99} normal block at 0x00000217D36807D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000217D367DB90, 16 bytes long.
 Data: < Uh&#211;            > 10 55 68 D3 17 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000217D3685510, 40 bytes long.
 Data: < &#219;g&#211;    &#208; h&#211;    > 90 DB 67 D3 17 02 00 00 D0 07 68 D3 17 02 00 00 
{76} normal block at 0x00000217D367DA00, 16 bytes long.
 Data: < &#234;&#225;t&#247;           > 80 EA E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000217D367DF50, 16 bytes long.
 Data: <@&#233;&#225;t&#247;           > 40 E9 E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000217D367E950, 16 bytes long.
 Data: <&#248;W&#222;t&#247;           > F8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000217D367E310, 16 bytes long.
 Data: <&#216;W&#222;t&#247;           > D8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000217D367E270, 16 bytes long.
 Data: <P &#222;t&#247;           > 50 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000217D367DFF0, 16 bytes long.
 Data: <0 &#222;t&#247;           > 30 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000217D367E720, 16 bytes long.
 Data: <&#224; &#222;t&#247;           > E0 02 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000217D367E4F0, 16 bytes long.
 Data: <  &#222;t&#247;           > 10 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000217D367E590, 16 bytes long.
 Data: <p &#222;t&#247;           > 70 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000217D367E2C0, 16 bytes long.
 Data: < &#192;&#220;t&#247;           > 18 C0 DC 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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