Task 38683318

Name test_737-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1099_0
Workunit 31624889
Created 27 Oct 2026, 11:22:19 UTC
Sent 27 Oct 2026, 11:22:22 UTC
Report deadline 1 Nov 2026, 11:22:22 UTC
Received 27 Oct 2026, 13:20:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 37 min 59 sec
CPU time 35 min 47 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 673.23 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
13:43:54 (8060): wrapper (7.9.26016): starting
13:43:54 (8060): 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
13:43:56 (8060): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:43:56 (8060): 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\17\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\17\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
14:20:20 (8060): C:/Windows/system32/cmd.exe exited; CPU time 2147.046875
14:20:20 (8060): 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: 37283983 bytes.
Dumping objects ->
{3835240} normal block at 0x0000021B0DD74140, 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 0x0000021B0DD74760, 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 0x0000021B0DD746F0, 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 0x0000021B0DD74680, 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 0x0000021B0DD74610, 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 0x0000021B0F97B160, 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 0x0000021B0DDC0DD0, 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 0x0000021B0DD6DCE0, 8 bytes long.
 Data: <  &#208;     > 00 00 D0 0D 1B 02 00 00 
{3834552} normal block at 0x0000021B0DDC0340, 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 0x0000021B0DD6E1E0, 8 bytes long.
 Data: < &#214;&#213;     > 90 D6 D5 0D 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021B0DD705C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021B0DD656A0, 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 0x0000021B0DD75470, 16 bytes long.
 Data: <x]&#215;             > 78 5D D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021B0DD75380, 16 bytes long.
 Data: <P]&#215;             > 50 5D D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021B0DD6EED0, 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 0x0000021B0DD75290, 16 bytes long.
 Data: <(]&#215;             > 28 5D D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021B0DD75240, 16 bytes long.
 Data: < ]&#215;             > 00 5D D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021B0DD74930, 16 bytes long.
 Data: <&#216;\&#215;             > D8 5C D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B0DD75830, 16 bytes long.
 Data: <&#176;\&#215;             > B0 5C D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021B0DD747D0, 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 0x0000021B0DD74C50, 16 bytes long.
 Data: <H&#180;&#213;             > 48 B4 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021B0DD6EE70, 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 0x0000021B0DD74F70, 16 bytes long.
 Data: < &#180;&#213;             > 20 B4 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021B0DD755B0, 16 bytes long.
 Data: <&#248;&#179;&#213;             > F8 B3 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021B0DD74C00, 16 bytes long.
 Data: <&#208;&#179;&#213;             > D0 B3 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021B0DD752E0, 16 bytes long.
 Data: <&#168;&#179;&#213;             > A8 B3 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021B0DD751F0, 16 bytes long.
 Data: < &#179;&#213;             > 80 B3 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021B0DD74D90, 16 bytes long.
 Data: <X&#179;&#213;             > 58 B3 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021B0DD6F710, 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 0x0000021B0DD74E80, 16 bytes long.
 Data: <0&#179;&#213;             > 30 B3 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021B0DD5B330, 320 bytes long.
 Data: < N&#215;      &#247;&#214;     > 80 4E D7 0D 1B 02 00 00 10 F7 D6 0D 1B 02 00 00 
{274} normal block at 0x0000021B0DD74BB0, 16 bytes long.
 Data: < \&#215;             > 90 5C D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B0DD75790, 16 bytes long.
 Data: <h\&#215;             > 68 5C D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021B0DD6ECF0, 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 0x0000021B0DD75150, 16 bytes long.
 Data: <@\&#215;             > 40 5C D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021B0DD6F470, 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 0x0000021B0DD75560, 16 bytes long.
 Data: < [&#215;             > 88 5B D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B0DD74AC0, 16 bytes long.
 Data: <`[&#215;             > 60 5B D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021B0DD75600, 16 bytes long.
 Data: <8[&#215;             > 38 5B D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021B0DD74A70, 16 bytes long.
 Data: < [&#215;             > 10 5B D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021B0DD75060, 16 bytes long.
 Data: <&#232;Z&#215;             > E8 5A D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021B0DD74D40, 16 bytes long.
 Data: <&#192;Z&#215;             > C0 5A D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021B0DD74CF0, 16 bytes long.
 Data: < B&#215;             > 90 42 D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021B0DD74290, 40 bytes long.
 Data: <&#240;L&#215;     `&#177;&#151;     > F0 4C D7 0D 1B 02 00 00 60 B1 97 0F 1B 02 00 00 
{260} normal block at 0x0000021B0DD75740, 16 bytes long.
 Data: <&#160;Z&#215;             > A0 5A D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021B0DD748E0, 16 bytes long.
 Data: <xZ&#215;             > 78 5A D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021B0DD6EFF0, 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 0x0000021B0DD756A0, 16 bytes long.
 Data: <PZ&#215;             > 50 5A D7 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021B0DD75A50, 992 bytes long.
 Data: <&#160;V&#215;     &#240;&#239;&#214;     > A0 56 D7 0D 1B 02 00 00 F0 EF D6 0D 1B 02 00 00 
{92} normal block at 0x0000021B0DD6F2F0, 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 0x0000021B0DD6E190, 16 bytes long.
 Data: < &#198;&#213;             > 00 C6 D5 0D 1B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021B0DD5C600, 40 bytes long.
 Data: < &#225;&#214;     &#240;&#242;&#214;     > 90 E1 D6 0D 1B 02 00 00 F0 F2 D6 0D 1B 02 00 00 
{69} normal block at 0x0000021B0DD6E5A0, 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 0x0000021B0DD6E500, 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 0x0000021B0DD6DD30, 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 0x0000021B0DD6E4B0, 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 0x0000021B0DD6EA50, 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 0x0000021B0DD6E230, 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 0x0000021B0DD6E280, 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 0x0000021B0DD6E9B0, 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 0x0000021B0DD6E460, 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 0x0000021B0DD6E550, 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