Task 38683741

Name test_504-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7247_0
Workunit 31625287
Created 27 Oct 2026, 13:05:34 UTC
Sent 27 Oct 2026, 13:05:40 UTC
Report deadline 1 Nov 2026, 13:05:40 UTC
Received 27 Oct 2026, 14:10:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 49 min 25 sec
CPU time 43 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 647.27 MB
Peak swap size 9.73 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:08:27 (4056): wrapper (7.9.26016): starting
15:08:27 (4056): 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
15:08:31 (4056): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:08:31 (4056): 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\24\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\24\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
15:55:38 (4056): C:/Windows/system32/cmd.exe exited; CPU time 2584.437500
15:55:38 (4056): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 33392289 bytes.
Dumping objects ->
{3835241} normal block at 0x000001E8A579AE20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x000001E8A579AAA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001E8A579AFE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x000001E8A579A5D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001E8A3ACC140, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x000001E8A57E1BA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x000001E8A5840F60, 180 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 0x000001E8A3AC7100, 8 bytes long.
 Data: <  &#163;&#163;&#232;   > 00 00 A3 A3 E8 01 00 00 
{3834544} normal block at 0x000001E8A5841500, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001E8A3AC7E20, 8 bytes long.
 Data: <&#208;%&#132;&#165;&#232;   > D0 25 84 A5 E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001E8A3AD0CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E8A3ABD370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001E8A3AD23E0, 16 bytes long.
 Data: <&#200;A&#173;&#163;&#232;           > C8 41 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E8A3AD1D50, 16 bytes long.
 Data: <&#160;A&#173;&#163;&#232;           > A0 41 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E8A3ACD7D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001E8A3AD1B20, 16 bytes long.
 Data: <xA&#173;&#163;&#232;           > 78 41 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E8A3AD2700, 16 bytes long.
 Data: <PA&#173;&#163;&#232;           > 50 41 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E8A3AD20C0, 16 bytes long.
 Data: <(A&#173;&#163;&#232;           > 28 41 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E8A3AD22F0, 16 bytes long.
 Data: < A&#173;&#163;&#232;           > 00 41 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E8A3ACC220, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000001E8A3AD2430, 16 bytes long.
 Data: <&#200;Z&#171;&#163;&#232;           > C8 5A AB A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E8A3ACD4D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000001E8A3AD2340, 16 bytes long.
 Data: <&#160;Z&#171;&#163;&#232;           > A0 5A AB A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E8A3AD2A20, 16 bytes long.
 Data: <xZ&#171;&#163;&#232;           > 78 5A AB A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E8A3AD1CB0, 16 bytes long.
 Data: <PZ&#171;&#163;&#232;           > 50 5A AB A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E8A3AD2390, 16 bytes long.
 Data: <(Z&#171;&#163;&#232;           > 28 5A AB A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E8A3AD27F0, 16 bytes long.
 Data: < Z&#171;&#163;&#232;           > 00 5A AB A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E8A3AD26B0, 16 bytes long.
 Data: <&#216;Y&#171;&#163;&#232;           > D8 59 AB A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E8A3ACDD70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000001E8A3AD29D0, 16 bytes long.
 Data: <&#176;Y&#171;&#163;&#232;           > B0 59 AB A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E8A3AB59B0, 320 bytes long.
 Data: <&#208;)&#173;&#163;&#232;   p&#221;&#172;&#163;&#232;   > D0 29 AD A3 E8 01 00 00 70 DD AC A3 E8 01 00 00 
{266} normal block at 0x000001E8A3AD2660, 16 bytes long.
 Data: <&#224;@&#173;&#163;&#232;           > E0 40 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E8A3AD1C10, 16 bytes long.
 Data: <&#184;@&#173;&#163;&#232;           > B8 40 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E8A3ACDBF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001E8A3AD2480, 16 bytes long.
 Data: <&#144;@&#173;&#163;&#232;           > 90 40 AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E8A3ACD650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001E8A3AD1FD0, 16 bytes long.
 Data: <&#216;?&#173;&#163;&#232;           > D8 3F AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E8A3AD24D0, 16 bytes long.
 Data: <&#176;?&#173;&#163;&#232;           > B0 3F AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E8A3AD2980, 16 bytes long.
 Data: < ?&#173;&#163;&#232;           > 88 3F AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E8A3AD2930, 16 bytes long.
 Data: <`?&#173;&#163;&#232;           > 60 3F AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E8A3AD22A0, 16 bytes long.
 Data: <8?&#173;&#163;&#232;           > 38 3F AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E8A3AD25C0, 16 bytes long.
 Data: < ?&#173;&#163;&#232;           > 10 3F AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E8A3AD1EE0, 16 bytes long.
 Data: <&#192;&#189;&#172;&#163;&#232;           > C0 BD AC A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E8A3ACBDC0, 40 bytes long.
 Data: <&#224; &#173;&#163;&#232;   &#160; ~&#165;&#232;   > E0 1E AD A3 E8 01 00 00 A0 1B 7E A5 E8 01 00 00 
{252} normal block at 0x000001E8A3AD2610, 16 bytes long.
 Data: <&#240;>&#173;&#163;&#232;           > F0 3E AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001E8A3AD2110, 16 bytes long.
 Data: <&#200;>&#173;&#163;&#232;           > C8 3E AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001E8A3ACD770, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000001E8A3AD1D00, 16 bytes long.
 Data: <&#160;>&#173;&#163;&#232;           > A0 3E AD A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001E8A3AD3EA0, 992 bytes long.
 Data: <  &#173;&#163;&#232;   p&#215;&#172;&#163;&#232;   > 00 1D AD A3 E8 01 00 00 70 D7 AC A3 E8 01 00 00 
{84} normal block at 0x000001E8A3ACD3B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000001E8A3AC7BA0, 16 bytes long.
 Data: <&#176;&#193;&#172;&#163;&#232;           > B0 C1 AC A3 E8 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E8A3ACC1B0, 40 bytes long.
 Data: <&#160;{&#172;&#163;&#232;   &#176;&#211;&#172;&#163;&#232;   > A0 7B AC A3 E8 01 00 00 B0 D3 AC A3 E8 01 00 00 
{61} normal block at 0x000001E8A3AC7EC0, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E8A3AC7150, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E8A3AC7420, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E8A3AC73D0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E8A3AC7330, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E8A3AC70B0, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001E8A3AC7970, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001E8A3AC7380, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001E8A3AC75B0, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001E8A3AC7010, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra