Task 38679796

Name test_311-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8266_0
Workunit 31621557
Created 26 Oct 2026, 21:47:34 UTC
Sent 26 Oct 2026, 21:47:37 UTC
Report deadline 31 Oct 2026, 21:47:37 UTC
Received 27 Oct 2026, 6:38:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627058
Run time 38 min 27 sec
CPU time 33 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.80 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:50:42 (20736): wrapper (7.9.26016): starting
22:50:42 (20736): 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
22:50:43 (20736): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:50:43 (20736): 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\69\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\69\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.
07:15:50 (23040): wrapper (7.9.26016): starting
07:15:50 (23040): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r&#130;pertoire ou un fichier C:\ProgramData\BOINC\slots\69\tmp existe d&#130;j&#133;.
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
07:36:43 (23040): C:/Windows/system32/cmd.exe exited; CPU time 1118.734375
07:36:43 (23040): 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: 26321745 bytes.
Dumping objects ->
{3850207} normal block at 0x0000024AB0CFDBA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850196} normal block at 0x0000024AB0CFCDA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850185} normal block at 0x0000024AB0CFD2E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850174} normal block at 0x0000024AB0CFD0B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850163} normal block at 0x0000024AB0CFD5F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850132} normal block at 0x0000024AB0CA1F30, 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) : {3850119} normal block at 0x0000024AAEF825E0, 8 bytes long.
 Data: <  8&#175;J   > 00 00 38 AF 4A 02 00 00 
{3848650} normal block at 0x0000024AAEF82810, 8 bytes long.
 Data: <p&#235; &#175;J   > 70 EB 05 AF 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000024AAEF7DA40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024AAEF77040, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000024AAEF8AD90, 16 bytes long.
 Data: <X&#181;&#248;&#174;J           > 58 B5 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024AAEF8A890, 16 bytes long.
 Data: <0&#181;&#248;&#174;J           > 30 B5 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024AAEF842E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000024AAEF8A840, 16 bytes long.
 Data: < &#181;&#248;&#174;J           > 08 B5 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024AAEF8A110, 16 bytes long.
 Data: <&#224;&#180;&#248;&#174;J           > E0 B4 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024AAEF8AE30, 16 bytes long.
 Data: <&#184;&#180;&#248;&#174;J           > B8 B4 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024AAEF8A6B0, 16 bytes long.
 Data: < &#180;&#248;&#174;J           > 90 B4 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024AAEF86150, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000024AAEF8A660, 16 bytes long.
 Data: <&#248;X&#248;&#174;J           > F8 58 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024AAEF84400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000024AAEF8A5C0, 16 bytes long.
 Data: <&#208;X&#248;&#174;J           > D0 58 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024AAEF8A7F0, 16 bytes long.
 Data: <&#168;X&#248;&#174;J           > A8 58 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024AAEF8A570, 16 bytes long.
 Data: < X&#248;&#174;J           > 80 58 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024AAEF8A520, 16 bytes long.
 Data: <XX&#248;&#174;J           > 58 58 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024AAEF8AD40, 16 bytes long.
 Data: <0X&#248;&#174;J           > 30 58 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024AAEF8AC00, 16 bytes long.
 Data: < X&#248;&#174;J           > 08 58 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024AAEF844C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000024AAEF8A160, 16 bytes long.
 Data: <&#224;W&#248;&#174;J           > E0 57 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024AAEF857E0, 320 bytes long.
 Data: <`&#161;&#248;&#174;J   &#192;D&#248;&#174;J   > 60 A1 F8 AE 4A 02 00 00 C0 44 F8 AE 4A 02 00 00 
{279} normal block at 0x0000024AAEF8A480, 16 bytes long.
 Data: <p&#180;&#248;&#174;J           > 70 B4 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024AAEF8A610, 16 bytes long.
 Data: <H&#180;&#248;&#174;J           > 48 B4 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024AAEF84160, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000024AAEF8AA20, 16 bytes long.
 Data: < &#180;&#248;&#174;J           > 20 B4 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024AAEF83EC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000024AAEF8A700, 16 bytes long.
 Data: <h&#179;&#248;&#174;J           > 68 B3 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024AAEF8ABB0, 16 bytes long.
 Data: <@&#179;&#248;&#174;J           > 40 B3 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024AAEF8ACF0, 16 bytes long.
 Data: < &#179;&#248;&#174;J           > 18 B3 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024AAEF8AE80, 16 bytes long.
 Data: <&#240;&#178;&#248;&#174;J           > F0 B2 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024AAEF8A9D0, 16 bytes long.
 Data: <&#200;&#178;&#248;&#174;J           > C8 B2 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024AAEF8A390, 16 bytes long.
 Data: <&#160;&#178;&#248;&#174;J           > A0 B2 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024AAEF8ACA0, 16 bytes long.
 Data: <&#160;b&#248;&#174;J           > A0 62 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024AAEF862A0, 40 bytes long.
 Data: <&#160;&#172;&#248;&#174;J   0 &#202;&#176;J   > A0 AC F8 AE 4A 02 00 00 30 1F CA B0 4A 02 00 00 
{265} normal block at 0x0000024AAEF8A250, 16 bytes long.
 Data: < &#178;&#248;&#174;J           > 80 B2 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024AAEF8A1B0, 16 bytes long.
 Data: <X&#178;&#248;&#174;J           > 58 B2 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024AAEF84700, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000024AAEF8A340, 16 bytes long.
 Data: <0&#178;&#248;&#174;J           > 30 B2 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024AAEF8B230, 992 bytes long.
 Data: <@&#163;&#248;&#174;J    G&#248;&#174;J   > 40 A3 F8 AE 4A 02 00 00 00 47 F8 AE 4A 02 00 00 
{97} normal block at 0x0000024AAEF84100, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000024AAEF82AE0, 16 bytes long.
 Data: <&#208;d&#248;&#174;J           > D0 64 F8 AE 4A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000024AAEF864D0, 40 bytes long.
 Data: <&#224;*&#248;&#174;J    A&#248;&#174;J   > E0 2A F8 AE 4A 02 00 00 00 41 F8 AE 4A 02 00 00 
{74} normal block at 0x0000024AAEF81FF0, 16 bytes long.
 Data: < &#234;&#236; &#246;           > 80 EA EC 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000024AAEF82DB0, 16 bytes long.
 Data: <@&#233;&#236; &#246;           > 40 E9 EC 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024AAEF82D10, 16 bytes long.
 Data: <&#248;W&#233; &#246;           > F8 57 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024AAEF82270, 16 bytes long.
 Data: <&#216;W&#233; &#246;           > D8 57 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024AAEF82130, 16 bytes long.
 Data: <P &#233; &#246;           > 50 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024AAEF82310, 16 bytes long.
 Data: <0 &#233; &#246;           > 30 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024AAEF824A0, 16 bytes long.
 Data: <&#224; &#233; &#246;           > E0 02 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024AAEF81F50, 16 bytes long.
 Data: <  &#233; &#246;           > 10 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024AAEF82D60, 16 bytes long.
 Data: <p &#233; &#246;           > 70 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024AAEF82450, 16 bytes long.
 Data: < &#192;&#231; &#246;           > 18 C0 E7 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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