Task 38674913

Name test_841-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2316_0
Workunit 31616917
Created 26 Oct 2026, 6:41:41 UTC
Sent 26 Oct 2026, 6:41:43 UTC
Report deadline 31 Oct 2026, 6:41:43 UTC
Received 26 Oct 2026, 7:12:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 26 min 3 sec
CPU time 24 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.21 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:47:26 (22632): wrapper (7.9.26016): starting
01:47:26 (22632): 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
01:47:27 (22632): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:47:27 (22632): 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\0\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\0\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
02:12:40 (22632): C:/Windows/system32/cmd.exe exited; CPU time 1451.875000
02:12:40 (22632): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 38001831 bytes.
Dumping objects ->
{3835258} normal block at 0x0000026C03CFC680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000026C02044930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000026C020448C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000026C02044850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000026C020447E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000026C03D45BA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835170} normal block at 0x0000026C0203F0A0, 8 bytes long.
 Data: <  C l   > 00 00 43 02 6C 02 00 00 
{3833959} normal block at 0x0000026C0203EEC0, 8 bytes long.
 Data: <`&#227;&#197; l   > 60 E3 C5 03 6C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026C02040990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026C02036270, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000026C02046030, 16 bytes long.
 Data: < X  l           > 08 58 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026C020463F0, 16 bytes long.
 Data: <&#224;W  l           > E0 57 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026C02040260, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000026C02045FE0, 16 bytes long.
 Data: <&#184;W  l           > B8 57 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026C02046440, 16 bytes long.
 Data: < W  l           > 90 57 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026C020464E0, 16 bytes long.
 Data: <hW  l           > 68 57 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026C02046350, 16 bytes long.
 Data: <@W  l           > 40 57 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026C02044B60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000026C02045F90, 16 bytes long.
 Data: <&#248;   l           > F8 90 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026C02040680, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000026C02046210, 16 bytes long.
 Data: <&#208;   l           > D0 90 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026C02046300, 16 bytes long.
 Data: <&#168;   l           > A8 90 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026C02045AE0, 16 bytes long.
 Data: <    l           > 80 90 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026C020463A0, 16 bytes long.
 Data: <X   l           > 58 90 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026C02046260, 16 bytes long.
 Data: <0   l           > 30 90 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026C02045A40, 16 bytes long.
 Data: <    l           > 08 90 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026C02040020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000026C02045F40, 16 bytes long.
 Data: <&#224;   l           > E0 8F 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026C02038FE0, 320 bytes long.
 Data: <@_  l       l   > 40 5F 04 02 6C 02 00 00 20 00 04 02 6C 02 00 00 
{275} normal block at 0x0000026C02046490, 16 bytes long.
 Data: < W  l           > 20 57 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026C02046760, 16 bytes long.
 Data: <&#248;V  l           > F8 56 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026C0203FF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000026C02045B80, 16 bytes long.
 Data: <&#208;V  l           > D0 56 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026C02040740, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000026C02045EF0, 16 bytes long.
 Data: < V  l           > 18 56 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026C02045EA0, 16 bytes long.
 Data: <&#240;U  l           > F0 55 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026C020461C0, 16 bytes long.
 Data: <&#200;U  l           > C8 55 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026C02046170, 16 bytes long.
 Data: <&#160;U  l           > A0 55 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026C02045A90, 16 bytes long.
 Data: <xU  l           > 78 55 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026C0203E970, 16 bytes long.
 Data: <PU  l           > 50 55 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026C0203E8D0, 16 bytes long.
 Data: <pN  l           > 70 4E 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026C02044E70, 40 bytes long.
 Data: <&#208;&#232;  l   &#160;[&#212; l   > D0 E8 03 02 6C 02 00 00 A0 5B D4 03 6C 02 00 00 
{261} normal block at 0x0000026C0203F780, 16 bytes long.
 Data: <0U  l           > 30 55 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026C0203F730, 16 bytes long.
 Data: < U  l           > 08 55 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026C02040380, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000026C0203F6E0, 16 bytes long.
 Data: <&#224;T  l           > E0 54 04 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026C020454E0, 992 bytes long.
 Data: <&#224;&#246;  l       l   > E0 F6 03 02 6C 02 00 00 80 03 04 02 6C 02 00 00 
{93} normal block at 0x0000026C020402C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000026C0203F280, 16 bytes long.
 Data: <0&#231;  l           > 30 E7 03 02 6C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000026C0203E730, 40 bytes long.
 Data: < &#242;  l   &#192;   l   > 80 F2 03 02 6C 02 00 00 C0 02 04 02 6C 02 00 00 
{70} normal block at 0x0000026C0203E9C0, 16 bytes long.
 Data: < &#234;&#164;Q&#246;           > 80 EA A4 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026C0203EE20, 16 bytes long.
 Data: <@&#233;&#164;Q&#246;           > 40 E9 A4 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026C0203EB50, 16 bytes long.
 Data: <&#248;W&#161;Q&#246;           > F8 57 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026C0203F2D0, 16 bytes long.
 Data: <&#216;W&#161;Q&#246;           > D8 57 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026C0203ED30, 16 bytes long.
 Data: <P &#161;Q&#246;           > 50 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026C0203EDD0, 16 bytes long.
 Data: <0 &#161;Q&#246;           > 30 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026C0203F320, 16 bytes long.
 Data: <&#224; &#161;Q&#246;           > E0 02 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026C0203F410, 16 bytes long.
 Data: <  &#161;Q&#246;           > 10 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026C0203EFB0, 16 bytes long.
 Data: <p &#161;Q&#246;           > 70 04 A1 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026C0203E920, 16 bytes long.
 Data: < &#192;&#159;Q&#246;           > 18 C0 9F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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