Task 38696539

Name test_937-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8160_0
Workunit 31637165
Created 1 Nov 2026, 1:19:16 UTC
Sent 1 Nov 2026, 1:19:20 UTC
Report deadline 6 Nov 2026, 1:19:20 UTC
Received 1 Nov 2026, 4:05:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 41 min 14 sec
CPU time 39 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.08 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
04:05:44 (11036): wrapper (7.9.26016): starting
04:05:44 (11036): 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
04:05:46 (11036): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:05:46 (11036): 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:\boinc\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 'C:\boinc\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
04:45:36 (11036): C:/Windows/system32/cmd.exe exited; CPU time 2344.406250
04:45:36 (11036): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 38338529 bytes.
Dumping objects ->
{3835315} normal block at 0x0000020BE5364130, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835304} normal block at 0x0000020BE71D1370, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835293} normal block at 0x0000020BE71D1B50, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835282} normal block at 0x0000020BE71D16D0, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835271} normal block at 0x0000020BE71D0590, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835240} normal block at 0x0000020BE5364280, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835229} normal block at 0x0000020BE719DD70, 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) : {3835226} normal block at 0x0000020BE535E850, 8 bytes long.
 Data: <   &#229;    > 00 00 99 E5 0B 02 00 00 
{3834587} normal block at 0x0000020BE719E660, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000020BE535EB70, 8 bytes long.
 Data: < 2 &#231;    > 80 32 1E E7 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020BE5360CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020BE534F6A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000020BE5365400, 16 bytes long.
 Data: < R6&#229;            > 18 52 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020BE53659A0, 16 bytes long.
 Data: <&#240;Q6&#229;            > F0 51 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020BE535FC70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000020BE5365720, 16 bytes long.
 Data: <&#200;Q6&#229;            > C8 51 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020BE5366120, 16 bytes long.
 Data: <&#160;Q6&#229;            > A0 51 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020BE5366080, 16 bytes long.
 Data: <xQ6&#229;            > 78 51 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020BE5365F40, 16 bytes long.
 Data: <PQ6&#229;            > 50 51 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020BE53642F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020BE5365E00, 16 bytes long.
 Data: <x&#180;4&#229;            > 78 B4 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020BE535FE50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000020BE5365950, 16 bytes long.
 Data: <P&#180;4&#229;            > 50 B4 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020BE53653B0, 16 bytes long.
 Data: <(&#180;4&#229;            > 28 B4 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020BE5365EA0, 16 bytes long.
 Data: < &#180;4&#229;            > 00 B4 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020BE5366210, 16 bytes long.
 Data: <&#216;&#179;4&#229;            > D8 B3 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020BE53656D0, 16 bytes long.
 Data: <&#176;&#179;4&#229;            > B0 B3 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020BE5365B80, 16 bytes long.
 Data: < &#179;4&#229;            > 88 B3 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020BE535F550, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000020BE5365F90, 16 bytes long.
 Data: <`&#179;4&#229;            > 60 B3 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020BE534B360, 320 bytes long.
 Data: < _6&#229;    P&#245;5&#229;    > 90 5F 36 E5 0B 02 00 00 50 F5 35 E5 0B 02 00 00 
{273} normal block at 0x0000020BE5365810, 16 bytes long.
 Data: <0Q6&#229;            > 30 51 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020BE5365900, 16 bytes long.
 Data: < Q6&#229;            > 08 51 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020BE535F010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000020BE5365E50, 16 bytes long.
 Data: <&#224;P6&#229;            > E0 50 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020BE535FD90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000020BE5365A90, 16 bytes long.
 Data: <(P6&#229;            > 28 50 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020BE5365360, 16 bytes long.
 Data: < P6&#229;            > 00 50 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020BE53657C0, 16 bytes long.
 Data: <&#216;O6&#229;            > D8 4F 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020BE5365540, 16 bytes long.
 Data: <&#176;O6&#229;            > B0 4F 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020BE5365EF0, 16 bytes long.
 Data: < O6&#229;            > 88 4F 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020BE535E3A0, 16 bytes long.
 Data: <`O6&#229;            > 60 4F 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020BE535E350, 16 bytes long.
 Data: <`C6&#229;            > 60 43 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020BE5364360, 40 bytes long.
 Data: <P&#227;5&#229;     B6&#229;    > 50 E3 35 E5 0B 02 00 00 80 42 36 E5 0B 02 00 00 
{259} normal block at 0x0000020BE535E7B0, 16 bytes long.
 Data: <@O6&#229;            > 40 4F 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020BE535E120, 16 bytes long.
 Data: < O6&#229;            > 18 4F 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020BE535FD30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000020BE535DFE0, 16 bytes long.
 Data: <&#240;N6&#229;            > F0 4E 36 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020BE5364EF0, 992 bytes long.
 Data: <&#224;&#223;5&#229;    0&#253;5&#229;    > E0 DF 35 E5 0B 02 00 00 30 FD 35 E5 0B 02 00 00 
{91} normal block at 0x0000020BE535F9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000020BE535E080, 16 bytes long.
 Data: <&#224;&#197;4&#229;            > E0 C5 34 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020BE534C5E0, 40 bytes long.
 Data: < &#224;5&#229;    &#208;&#249;5&#229;    > 80 E0 35 E5 0B 02 00 00 D0 F9 35 E5 0B 02 00 00 
{68} normal block at 0x0000020BE535EA30, 16 bytes long.
 Data: < &#234; 6&#246;           > 80 EA 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020BE535ECB0, 16 bytes long.
 Data: <@&#233; 6&#246;           > 40 E9 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020BE535EB20, 16 bytes long.
 Data: <&#248;W	6&#246;           > F8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020BE535E710, 16 bytes long.
 Data: <&#216;W	6&#246;           > D8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020BE535E2B0, 16 bytes long.
 Data: <P 	6&#246;           > 50 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020BE535DF90, 16 bytes long.
 Data: <0 	6&#246;           > 30 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020BE535EC60, 16 bytes long.
 Data: <&#224; 	6&#246;           > E0 02 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020BE535E030, 16 bytes long.
 Data: <  	6&#246;           > 10 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020BE535E170, 16 bytes long.
 Data: <p 	6&#246;           > 70 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020BE535EA80, 16 bytes long.
 Data: < &#192; 6&#246;           > 18 C0 07 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra