Task 38686667

Name test_739-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5626_0
Workunit 31628089
Created 28 Oct 2026, 3:49:02 UTC
Sent 28 Oct 2026, 3:49:08 UTC
Report deadline 2 Nov 2026, 3:49:08 UTC
Received 28 Oct 2026, 5:44:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 36 min 46 sec
CPU time 34 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.37 MB
Peak swap size 6.85 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
06:08:48 (6380): wrapper (7.9.26016): starting
06:08:48 (6380): 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
06:08:49 (6380): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:08:49 (6380): 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\18\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\18\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
06:44:02 (6380): C:/Windows/system32/cmd.exe exited; CPU time 2078.140625
06:44:02 (6380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 36246899 bytes.
Dumping objects ->
{3835240} normal block at 0x00000294772345E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000029477234500, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000029477234340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000029477234570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000029477234260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000029478EF9B20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000029477280F40, 144 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) : {3835151} normal block at 0x000002947722DEA0, 8 bytes long.
 Data: <  sw&#148;   > 00 00 73 77 94 02 00 00 
{3834552} normal block at 0x00000294772804B0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002947722E760, 8 bytes long.
 Data: < &#214;!w&#148;   > 90 D6 21 77 94 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002947722FCE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029477225200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000029477234D60, 16 bytes long.
 Data: <H]#w&#148;           > 48 5D 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029477234CC0, 16 bytes long.
 Data: < ]#w&#148;           > 20 5D 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002947722F4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000029477235490, 16 bytes long.
 Data: <&#248;\#w&#148;           > F8 5C 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029477234B30, 16 bytes long.
 Data: <&#208;\#w&#148;           > D0 5C 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029477234C70, 16 bytes long.
 Data: <&#168;\#w&#148;           > A8 5C 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000294772348B0, 16 bytes long.
 Data: < \#w&#148;           > 80 5C 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000294772343B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000029477235080, 16 bytes long.
 Data: <H&#180;!w&#148;           > 48 B4 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002947722EFD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000029477235300, 16 bytes long.
 Data: < &#180;!w&#148;           > 20 B4 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029477234950, 16 bytes long.
 Data: <&#248;&#179;!w&#148;           > F8 B3 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000294772352B0, 16 bytes long.
 Data: <&#208;&#179;!w&#148;           > D0 B3 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029477235440, 16 bytes long.
 Data: <&#168;&#179;!w&#148;           > A8 B3 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029477234AE0, 16 bytes long.
 Data: < &#179;!w&#148;           > 80 B3 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029477234E50, 16 bytes long.
 Data: <X&#179;!w&#148;           > 58 B3 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002947722EDF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000029477235260, 16 bytes long.
 Data: <0&#179;!w&#148;           > 30 B3 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002947721B330, 320 bytes long.
 Data: <`R#w&#148;   &#240;&#237;"w&#148;   > 60 52 23 77 94 02 00 00 F0 ED 22 77 94 02 00 00 
{274} normal block at 0x0000029477235030, 16 bytes long.
 Data: <`\#w&#148;           > 60 5C 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029477235800, 16 bytes long.
 Data: <8\#w&#148;           > 38 5C 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002947722F450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000029477234D10, 16 bytes long.
 Data: < \#w&#148;           > 10 5C 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002947722F690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000029477235670, 16 bytes long.
 Data: <X[#w&#148;           > 58 5B 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029477234A90, 16 bytes long.
 Data: <0[#w&#148;           > 30 5B 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000294772353A0, 16 bytes long.
 Data: < [#w&#148;           > 08 5B 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029477235350, 16 bytes long.
 Data: <&#224;Z#w&#148;           > E0 5A 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029477235210, 16 bytes long.
 Data: <&#184;Z#w&#148;           > B8 5A 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029477235170, 16 bytes long.
 Data: < Z#w&#148;           > 90 5A 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029477234C20, 16 bytes long.
 Data: < A#w&#148;           > 10 41 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029477234110, 40 bytes long.
 Data: < L#w&#148;    &#155;&#239;x&#148;   > 20 4C 23 77 94 02 00 00 20 9B EF 78 94 02 00 00 
{260} normal block at 0x0000029477235120, 16 bytes long.
 Data: <pZ#w&#148;           > 70 5A 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029477235620, 16 bytes long.
 Data: <HZ#w&#148;           > 48 5A 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002947722F630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000029477234BD0, 16 bytes long.
 Data: < Z#w&#148;           > 20 5A 23 77 94 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029477235A20, 992 bytes long.
 Data: <&#208;K#w&#148;   0&#246;"w&#148;   > D0 4B 23 77 94 02 00 00 30 F6 22 77 94 02 00 00 
{92} normal block at 0x000002947722F030, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002947722DDB0, 16 bytes long.
 Data: < &#198;!w&#148;           > 00 C6 21 77 94 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002947721C600, 40 bytes long.
 Data: <&#176;&#221;"w&#148;   0&#240;"w&#148;   > B0 DD 22 77 94 02 00 00 30 F0 22 77 94 02 00 00 
{69} normal block at 0x000002947722DD60, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002947722E120, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002947722E530, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002947722E620, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002947722E440, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002947722EA80, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002947722DCC0, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002947722E170, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002947722E850, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002947722EA30, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra