Task 38698478

Name test_532-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5048_0
Workunit 31638996
Created 2 Nov 2026, 15:31:25 UTC
Sent 2 Nov 2026, 15:31:31 UTC
Report deadline 7 Nov 2026, 15:31:31 UTC
Received 2 Nov 2026, 16:42:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591223
Run time 1 hours 9 min 49 sec
CPU time 1 hours 3 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.02 MB
Peak swap size 6.76 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:35:01 (10212): wrapper (7.9.26016): starting
10:35:01 (10212): 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
10:35:05 (10212): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:35:05 (10212): 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 'D:\ProgramData\BOINC\slots\2\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 'D:\ProgramData\BOINC\slots\2\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
11:42:06 (10212): C:/Windows/system32/cmd.exe exited; CPU time 3822.843750
11:42:06 (10212): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 89693377 bytes.
Dumping objects ->
{3835243} normal block at 0x000002541FDFC300, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000002541FDFC060, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000002541FDFC3E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835210} normal block at 0x000002541FDFCDF0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000002541FDFC760, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835168} normal block at 0x000002541FDFB860, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000002541FE2D270, 135 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) : {3835154} normal block at 0x000002541FDCE800, 8 bytes long.
 Data: <  ! T   > 00 00 21 20 54 02 00 00 
{3834554} normal block at 0x000002541FE2CA50, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002541FDCDBD0, 8 bytes long.
 Data: <PA&#168;!T   > 50 41 A8 21 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002541FDC5C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002541FDC6680, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002541FDD5380, 16 bytes long.
 Data: <(e&#221; T           > 28 65 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002541FDD5330, 16 bytes long.
 Data: < e&#221; T           > 00 65 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002541FDD0210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002541FDD55B0, 16 bytes long.
 Data: <&#216;d&#221; T           > D8 64 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002541FDD5830, 16 bytes long.
 Data: <&#176;d&#221; T           > B0 64 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002541FDD5240, 16 bytes long.
 Data: < d&#221; T           > 88 64 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002541FDD6190, 16 bytes long.
 Data: <`d&#221; T           > 60 64 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002541FDD3DE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002541FDD5790, 16 bytes long.
 Data: <X&#204;&#219; T           > 58 CC DB 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002541FDCF970, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002541FDD5B00, 16 bytes long.
 Data: <0&#204;&#219; T           > 30 CC DB 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002541FDD6140, 16 bytes long.
 Data: < &#204;&#219; T           > 08 CC DB 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002541FDD5B50, 16 bytes long.
 Data: <&#224;&#203;&#219; T           > E0 CB DB 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002541FDD5C90, 16 bytes long.
 Data: <&#184;&#203;&#219; T           > B8 CB DB 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002541FDD56F0, 16 bytes long.
 Data: < &#203;&#219; T           > 90 CB DB 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002541FDD6000, 16 bytes long.
 Data: <h&#203;&#219; T           > 68 CB DB 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002541FDCF910, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002541FDD52E0, 16 bytes long.
 Data: <@&#203;&#219; T           > 40 CB DB 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002541FDBCB40, 320 bytes long.
 Data: <&#224;R&#221; T    &#249;&#220; T   > E0 52 DD 1F 54 02 00 00 10 F9 DC 1F 54 02 00 00 
{278} normal block at 0x000002541FDD5E70, 16 bytes long.
 Data: <@d&#221; T           > 40 64 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002541FDD5A10, 16 bytes long.
 Data: < d&#221; T           > 18 64 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002541FDD0450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002541FDD56A0, 16 bytes long.
 Data: <&#240;c&#221; T           > F0 63 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002541FDCFC70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002541FDD5C40, 16 bytes long.
 Data: <8c&#221; T           > 38 63 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002541FDD5E20, 16 bytes long.
 Data: < c&#221; T           > 10 63 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002541FDD60A0, 16 bytes long.
 Data: <&#232;b&#221; T           > E8 62 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002541FDD5BA0, 16 bytes long.
 Data: <&#192;b&#221; T           > C0 62 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002541FDD5A60, 16 bytes long.
 Data: < b&#221; T           > 98 62 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002541FDD5BF0, 16 bytes long.
 Data: <pb&#221; T           > 70 62 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002541FDD5290, 16 bytes long.
 Data: <P>&#221; T           > 50 3E DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002541FDD3E50, 40 bytes long.
 Data: < R&#221; T   `&#184;&#223; T   > 90 52 DD 1F 54 02 00 00 60 B8 DF 1F 54 02 00 00 
{264} normal block at 0x000002541FDD5CE0, 16 bytes long.
 Data: <Pb&#221; T           > 50 62 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002541FDD5560, 16 bytes long.
 Data: <(b&#221; T           > 28 62 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002541FDCF7F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002541FDD5510, 16 bytes long.
 Data: < b&#221; T           > 00 62 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002541FDD6200, 992 bytes long.
 Data: < U&#221; T   &#240;&#247;&#220; T   > 10 55 DD 1F 54 02 00 00 F0 F7 DC 1F 54 02 00 00 
{96} normal block at 0x000002541FDCFBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002541FDCE490, 16 bytes long.
 Data: <&#240;@&#221; T           > F0 40 DD 1F 54 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002541FDD40F0, 40 bytes long.
 Data: < &#228;&#220; T   &#176;&#251;&#220; T   > 90 E4 DC 1F 54 02 00 00 B0 FB DC 1F 54 02 00 00 
{73} normal block at 0x000002541FDCE8F0, 16 bytes long.
 Data: < &#234;&#248; &#246;           > 80 EA F8 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002541FDCDB30, 16 bytes long.
 Data: <@&#233;&#248; &#246;           > 40 E9 F8 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002541FDCE7B0, 16 bytes long.
 Data: <&#248;W&#245; &#246;           > F8 57 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002541FDCDCC0, 16 bytes long.
 Data: <&#216;W&#245; &#246;           > D8 57 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002541FDCE670, 16 bytes long.
 Data: <P &#245; &#246;           > 50 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002541FDCEA30, 16 bytes long.
 Data: <0 &#245; &#246;           > 30 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002541FDCE350, 16 bytes long.
 Data: <&#224; &#245; &#246;           > E0 02 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002541FDCE760, 16 bytes long.
 Data: <  &#245; &#246;           > 10 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002541FDCE5D0, 16 bytes long.
 Data: <p &#245; &#246;           > 70 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002541FDCE120, 16 bytes long.
 Data: < &#192;&#243; &#246;           > 18 C0 F3 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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