Task 38682778

Name test_729-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND7950_0
Workunit 31624373
Created 27 Oct 2026, 9:05:02 UTC
Sent 27 Oct 2026, 9:05:09 UTC
Report deadline 1 Nov 2026, 9:05:09 UTC
Received 27 Oct 2026, 9:38:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 32 min 24 sec
CPU time 27 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,472.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 767.82 MB
Peak swap size 12.94 GB
Peak disk usage 3.72 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:06:31 (3156): wrapper (7.9.26016): starting
05:06:31 (3156): 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
05:06:33 (3156): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:06:33 (3156): 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\30\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\30\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
05:37:44 (3156): C:/Windows/system32/cmd.exe exited; CPU time 1671.656250
05:37:44 (3156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 32627749 bytes.
Dumping objects ->
{3835536} normal block at 0x000002416004C5E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000002415E414BB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000002415E414B40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835503} normal block at 0x000002415E414AD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x000002415E414980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835461} normal block at 0x00000241600997F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x000002415E47A3C0, 140 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) : {3835447} normal block at 0x000002415E40EF10, 8 bytes long.
 Data: <   ^A   > 00 00 98 5E 41 02 00 00 
{3834695} normal block at 0x000002415E47A220, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002415E40EC40, 8 bytes long.
 Data: <&#160;7 `A   > A0 37 12 60 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002415E410DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002415E3FF270, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002415E415510, 16 bytes long.
 Data: < dA^A           > 88 64 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002415E415920, 16 bytes long.
 Data: <`dA^A           > 60 64 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002415E40FDE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002415E415E70, 16 bytes long.
 Data: <8dA^A           > 38 64 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002415E415F60, 16 bytes long.
 Data: < dA^A           > 10 64 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002415E415830, 16 bytes long.
 Data: <&#232;cA^A           > E8 63 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002415E415C90, 16 bytes long.
 Data: <&#192;cA^A           > C0 63 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002415E414600, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002415E415790, 16 bytes long.
 Data: <&#232;&#228;@^A           > E8 E4 40 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002415E40FD20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002415E4154C0, 16 bytes long.
 Data: <&#192;&#228;@^A           > C0 E4 40 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002415E4151F0, 16 bytes long.
 Data: < &#228;@^A           > 98 E4 40 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002415E415420, 16 bytes long.
 Data: <p&#228;@^A           > 70 E4 40 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002415E415740, 16 bytes long.
 Data: <H&#228;@^A           > 48 E4 40 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002415E4158D0, 16 bytes long.
 Data: < &#228;@^A           > 20 E4 40 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002415E4155B0, 16 bytes long.
 Data: <&#248;&#227;@^A           > F8 E3 40 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002415E40F8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002415E4153D0, 16 bytes long.
 Data: <&#208;&#227;@^A           > D0 E3 40 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002415E40E3D0, 320 bytes long.
 Data: <&#208;SA^A   &#160;&#248;@^A   > D0 53 41 5E 41 02 00 00 A0 F8 40 5E 41 02 00 00 
{277} normal block at 0x000002415E415880, 16 bytes long.
 Data: <&#160;cA^A           > A0 63 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002415E4156F0, 16 bytes long.
 Data: <xcA^A           > 78 63 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002415E40FCC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002415E415560, 16 bytes long.
 Data: <PcA^A           > 50 63 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002415E40FD80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002415E4157E0, 16 bytes long.
 Data: < bA^A           > 98 62 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002415E415330, 16 bytes long.
 Data: <pbA^A           > 70 62 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002415E415BA0, 16 bytes long.
 Data: <HbA^A           > 48 62 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002415E415DD0, 16 bytes long.
 Data: < bA^A           > 20 62 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002415E415D80, 16 bytes long.
 Data: <&#248;aA^A           > F8 61 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002415E4152E0, 16 bytes long.
 Data: <&#208;aA^A           > D0 61 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002415E4156A0, 16 bytes long.
 Data: <&#160;HA^A           > A0 48 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002415E4148A0, 40 bytes long.
 Data: <&#160;VA^A   &#240;&#151;	`A   > A0 56 41 5E 41 02 00 00 F0 97 09 60 41 02 00 00 
{263} normal block at 0x000002415E415970, 16 bytes long.
 Data: <&#176;aA^A           > B0 61 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002415E415B50, 16 bytes long.
 Data: < aA^A           > 88 61 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002415E40F6C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002415E415380, 16 bytes long.
 Data: <`aA^A           > 60 61 41 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002415E416160, 992 bytes long.
 Data: < SA^A   &#192;&#246;@^A   > 80 53 41 5E 41 02 00 00 C0 F6 40 5E 41 02 00 00 
{95} normal block at 0x000002415E410440, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002415E40EC90, 16 bytes long.
 Data: <@&#212;?^A           > 40 D4 3F 5E 41 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002415E3FD440, 40 bytes long.
 Data: < &#236;@^A   @ A^A   > 90 EC 40 5E 41 02 00 00 40 04 41 5E 41 02 00 00 
{72} normal block at 0x000002415E40EBA0, 16 bytes long.
 Data: < &#234;&#215;&#243;&#246;           > 80 EA D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002415E40EE70, 16 bytes long.
 Data: <@&#233;&#215;&#243;&#246;           > 40 E9 D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002415E40F2D0, 16 bytes long.
 Data: <&#248;W&#212;&#243;&#246;           > F8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002415E40F410, 16 bytes long.
 Data: <&#216;W&#212;&#243;&#246;           > D8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002415E40EE20, 16 bytes long.
 Data: <P &#212;&#243;&#246;           > 50 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002415E40F190, 16 bytes long.
 Data: <0 &#212;&#243;&#246;           > 30 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002415E40E7E0, 16 bytes long.
 Data: <&#224; &#212;&#243;&#246;           > E0 02 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002415E40EB50, 16 bytes long.
 Data: <  &#212;&#243;&#246;           > 10 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002415E40EBF0, 16 bytes long.
 Data: <p &#212;&#243;&#246;           > 70 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002415E40E790, 16 bytes long.
 Data: < &#192;&#210;&#243;&#246;           > 18 C0 D2 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra