Task 38687816

Name test_111-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4126_0
Workunit 31629193
Created 28 Oct 2026, 9:57:08 UTC
Sent 28 Oct 2026, 9:57:08 UTC
Report deadline 2 Nov 2026, 9:57:08 UTC
Received 28 Oct 2026, 11:17:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623084
Run time 1 hours 8 min
CPU time 1 hours 4 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.30 MB
Peak swap size 12.77 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:58:43 (20960): wrapper (7.9.26016): starting
18:58:43 (20960): 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
18:58:45 (20960): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:58:45 (20960): 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\34\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\34\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
20:05:50 (20960): C:/Windows/system32/cmd.exe exited; CPU time 3869.843750
20:05:50 (20960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 67927431 bytes.
Dumping objects ->
{3835600} normal block at 0x000001FCD19D9EF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x000001FCD19DA2E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835578} normal block at 0x000001FCD19DA350, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835567} normal block at 0x000001FCD19DA190, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000001FCD19DA270, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835525} normal block at 0x000001FCD39A4CB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001FCD39BF660, 104 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) : {3835511} normal block at 0x000001FCD19AE060, 8 bytes long.
 Data: <   &#209;    > 00 00 98 D1 FC 01 00 00 
{3834797} normal block at 0x000001FCD39BEF80, 104 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834105} normal block at 0x000001FCD19AEA10, 8 bytes long.
 Data: <  &#168;&#209;    > 90 E5 A8 D1 FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001FCD19B3810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001FCD19A7880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000001FCD19B7250, 16 bytes long.
 Data: <xw &#209;            > 78 77 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001FCD19B69E0, 16 bytes long.
 Data: <Pw &#209;            > 50 77 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001FCD19B0310, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000001FCD19B6990, 16 bytes long.
 Data: <(w &#209;            > 28 77 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001FCD19B7200, 16 bytes long.
 Data: < w &#209;            > 00 77 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001FCD19B6C10, 16 bytes long.
 Data: <&#216;v &#209;            > D8 76 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001FCD19B66C0, 16 bytes long.
 Data: <&#176;v &#209;            > B0 76 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001FCD19B13C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000001FCD19B7340, 16 bytes long.
 Data: <8  &#209;            > 38 01 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FCD19B0F10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000001FCD19B6580, 16 bytes long.
 Data: <   &#209;            > 10 01 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FCD19B6BC0, 16 bytes long.
 Data: <   &#209;            > E8 00 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FCD19B6B20, 16 bytes long.
 Data: <&#192;  &#209;            > C0 00 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FCD19B72A0, 16 bytes long.
 Data: <   &#209;            > 98 00 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FCD19B6E40, 16 bytes long.
 Data: <p  &#209;            > 70 00 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FCD19B68A0, 16 bytes long.
 Data: <H  &#209;            > 48 00 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FCD19B0910, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000001FCD19B6FD0, 16 bytes long.
 Data: <   &#209;            > 20 00 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FCD19B0020, 320 bytes long.
 Data: <&#208;o &#209;     	 &#209;    > D0 6F 9B D1 FC 01 00 00 10 09 9B D1 FC 01 00 00 
{288} normal block at 0x000001FCD19B6530, 16 bytes long.
 Data: < v &#209;            > 90 76 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FCD19B6D50, 16 bytes long.
 Data: <hv &#209;            > 68 76 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FCD19B0EB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000001FCD19B6A30, 16 bytes long.
 Data: <@v &#209;            > 40 76 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FCD19B02B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000001FCD19B6490, 16 bytes long.
 Data: < u &#209;            > 88 75 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FCD19B73E0, 16 bytes long.
 Data: <`u &#209;            > 60 75 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FCD19B6850, 16 bytes long.
 Data: <8u &#209;            > 38 75 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FCD19B7390, 16 bytes long.
 Data: < u &#209;            > 10 75 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FCD19B6DF0, 16 bytes long.
 Data: < t &#209;            > E8 74 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FCD19B6AD0, 16 bytes long.
 Data: <&#192;t &#209;            > C0 74 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FCD19B6940, 16 bytes long.
 Data: <P  &#209;            > 50 13 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FCD19B1350, 40 bytes long.
 Data: <@i &#209;    &#176;L &#211;    > 40 69 9B D1 FC 01 00 00 B0 4C 9A D3 FC 01 00 00 
{274} normal block at 0x000001FCD19B6D00, 16 bytes long.
 Data: < t &#209;            > A0 74 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FCD19B64E0, 16 bytes long.
 Data: <xt &#209;            > 78 74 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FCD19B0C10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000001FCD19B6DA0, 16 bytes long.
 Data: <Pt &#209;            > 50 74 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FCD19B7450, 992 bytes long.
 Data: < m &#209;       &#209;    > A0 6D 9B D1 FC 01 00 00 10 0C 9B D1 FC 01 00 00 
{106} normal block at 0x000001FCD19B1030, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000001FCD19AE9C0, 16 bytes long.
 Data: <&#176;  &#209;            > B0 17 9B D1 FC 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001FCD19B17B0, 40 bytes long.
 Data: <&#192;  &#209;    0  &#209;    > C0 E9 9A D1 FC 01 00 00 30 10 9B D1 FC 01 00 00 
{81} normal block at 0x000001FCD19AECE0, 16 bytes long.
 Data: <  -&#202;            > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001FCD19AE970, 16 bytes long.
 Data: <@ -&#202;            > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001FCD19AE420, 16 bytes long.
 Data: < W*&#202;            > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001FCD19ADF20, 16 bytes long.
 Data: <&#216;W*&#202;            > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001FCD19AEB00, 16 bytes long.
 Data: <P *&#202;            > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001FCD19AEDD0, 16 bytes long.
 Data: <0 *&#202;            > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001FCD19AEE70, 16 bytes long.
 Data: <  *&#202;            > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001FCD19AEE20, 16 bytes long.
 Data: <  *&#202;            > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FCD19AE740, 16 bytes long.
 Data: <p *&#202;            > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FCD19ADFC0, 16 bytes long.
 Data: < &#192;(&#202;            > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra