Task 38679882

Name test_129-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3328_0
Workunit 31621640
Created 26 Oct 2026, 22:06:10 UTC
Sent 26 Oct 2026, 22:06:11 UTC
Report deadline 31 Oct 2026, 22:06:11 UTC
Received 26 Oct 2026, 23:19:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 31 min 49 sec
CPU time 31 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.18 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:43:22 (26244): wrapper (7.9.26016): starting
00:43:22 (26244): 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
00:43:24 (26244): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:43:24 (26244): 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
01:19:17 (26244): C:/Windows/system32/cmd.exe exited; CPU time 1901.250000
01:19:17 (26244): 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: 36622989 bytes.
Dumping objects ->
{3835255} normal block at 0x0000021FCFAC6B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000021FCFAC6C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000021FCFAC6AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000021FCFAC6D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000021FCFAC6840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000021FD16BFED0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x0000021FD162A850, 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) : {3835166} normal block at 0x0000021FCFA95C20, 8 bytes long.
 Data: <  4&#209;    > 00 00 34 D1 1F 02 00 00 
{3834558} normal block at 0x0000021FD162A670, 180 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 0x0000021FCFA96440, 8 bytes long.
 Data: <  l&#209;    > 10 00 6C D1 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021FCFAA1480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021FCFA85010, 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 0x0000021FCFAA3050, 16 bytes long.
 Data: < >&#170;&#207;            > 98 3E AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021FCFAA3000, 16 bytes long.
 Data: <p>&#170;&#207;            > 70 3E AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021FCFA9C630, 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 0x0000021FCFAA2EC0, 16 bytes long.
 Data: <H>&#170;&#207;            > 48 3E AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021FCFAA2D30, 16 bytes long.
 Data: < >&#170;&#207;            > 20 3E AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021FCFAA2E70, 16 bytes long.
 Data: <&#248;=&#170;&#207;            > F8 3D AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021FCFAA2CE0, 16 bytes long.
 Data: <&#208;=&#170;&#207;            > D0 3D AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021FCFA9A750, 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 0x0000021FCFAA2DD0, 16 bytes long.
 Data: <&#200;&#184;&#169;&#207;            > C8 B8 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021FCFA9C690, 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 0x0000021FCFAA3190, 16 bytes long.
 Data: <&#160;&#184;&#169;&#207;            > A0 B8 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FCFAA31E0, 16 bytes long.
 Data: <x&#184;&#169;&#207;            > 78 B8 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021FCFAA30F0, 16 bytes long.
 Data: <P&#184;&#169;&#207;            > 50 B8 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021FCFAA2BF0, 16 bytes long.
 Data: <(&#184;&#169;&#207;            > 28 B8 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021FCFAA2BA0, 16 bytes long.
 Data: < &#184;&#169;&#207;            > 00 B8 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021FCFAA3550, 16 bytes long.
 Data: <&#216;&#183;&#169;&#207;            > D8 B7 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021FCFA9C750, 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 0x0000021FCFAA2880, 16 bytes long.
 Data: <&#176;&#183;&#169;&#207;            > B0 B7 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021FCFA9B7B0, 320 bytes long.
 Data: <&#128;(&#170;&#207;    P&#199;&#169;&#207;    > 80 28 AA CF 1F 02 00 00 50 C7 A9 CF 1F 02 00 00 
{273} normal block at 0x0000021FCFAA2C40, 16 bytes long.
 Data: <&#176;=&#170;&#207;            > B0 3D AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021FCFAA2740, 16 bytes long.
 Data: < =&#170;&#207;            > 88 3D AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021FCFA9BEB0, 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 0x0000021FCFAA2FB0, 16 bytes long.
 Data: <`=&#170;&#207;            > 60 3D AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021FCFA9C210, 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 0x0000021FCFAA26F0, 16 bytes long.
 Data: <&#168;<&#170;&#207;            > A8 3C AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021FCFAA2970, 16 bytes long.
 Data: <&#128;<&#170;&#207;            > 80 3C AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021FCFAA2F10, 16 bytes long.
 Data: <X<&#170;&#207;            > 58 3C AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021FCFAA27E0, 16 bytes long.
 Data: <0<&#170;&#207;            > 30 3C AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021FCFAA2E20, 16 bytes long.
 Data: < <&#170;&#207;            > 08 3C AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021FCFAA2790, 16 bytes long.
 Data: <&#224;;&#170;&#207;            > E0 3B AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021FCFAA2AB0, 16 bytes long.
 Data: <&#240;&#169;&#169;&#207;            > F0 A9 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021FCFA9A9F0, 40 bytes long.
 Data: <&#176;*&#170;&#207;    &#208;&#254;k&#209;    > B0 2A AA CF 1F 02 00 00 D0 FE 6B D1 1F 02 00 00 
{259} normal block at 0x0000021FCFAA2920, 16 bytes long.
 Data: <&#192;;&#170;&#207;            > C0 3B AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021FCFAA3500, 16 bytes long.
 Data: < ;&#170;&#207;            > 98 3B AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021FCFA9C5D0, 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 0x0000021FCFAA34B0, 16 bytes long.
 Data: <p;&#170;&#207;            > 70 3B AA CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021FCFAA3B70, 992 bytes long.
 Data: <&#176;4&#170;&#207;    &#208;&#197;&#169;&#207;    > B0 34 AA CF 1F 02 00 00 D0 C5 A9 CF 1F 02 00 00 
{91} normal block at 0x0000021FCFA9C090, 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 0x0000021FCFA95F40, 16 bytes long.
 Data: < &#166;&#169;&#207;            > 00 A6 A9 CF 1F 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000021FCFA9A600, 40 bytes long.
 Data: <@_&#169;&#207;    &#144;&#192;&#169;&#207;    > 40 5F A9 CF 1F 02 00 00 90 C0 A9 CF 1F 02 00 00 
{68} normal block at 0x0000021FCFA96260, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021FCFA95D60, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021FCFA95900, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021FCFA95C70, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021FCFA95F90, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021FCFA96120, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021FCFA963F0, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021FCFA95B30, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021FCFA95A90, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021FCFA959F0, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra